C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315
Izici Zomzimba Eziyinhloko | Inani | Isimo |
Isisindo samangqamuzana | 721.80 | - |
I-Melting Point (Eyokuhlola) | 107-110 °C | - |
Ukuminyana (Kubikezelwe) | 1.26±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr |
pKa (Kubikezelwe) | 8.60±0.40 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical AMAMOTHEKA O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC=CC4)(C5=CC=C(OC)C=C5)C6 =CC=C(OC)C=C6)C(O)C3OCCOC)C
I-Isomeric SMILES
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC =C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
I-InChI
I-InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11-7-5-8-12-28)39-36(51- 24-23-48-2)35(45)34(53-39)26-52-41(29-13)
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18-31/h5-22 ,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
Ukhiye we-InchI
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Amanye Amagama Alesi Sitho
N-Benzoyl-5′-O--[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 10: PN: WO03084478 IKHASI: Abangu-57 bafuna i-RNA; 12: PN: US20030170636 IKHASI: Abangu-17 bafuna i-R NA; 13: PN: US20030212017 IKHASI: Abangu-19 bafuna i-R NA; 14: PN: US20030
211606 IKHASI: Abangu-19 babanga i-R NA; 15: PN: US20040005569 IKHASI: Abangu-22 bafuna i-R NA; 16: PN: US20040006030 IKHASI: Abangu-22 bafuna i-R NA; 16: PN: US20040014048 IKHASI: 20 ibango i-R NA; 17: PN: US20030171313 IKHASI: Abangu-9 babanga i-R NA; 17: PN: US20040005565 IKHASI: 17- 22 bafuna i-RNA; 17: PN: US20040005570 IKHASI: 20 ibango i-R NA; 17: PN: US20040014047 IKHASI: 20 ibango i-R NA; 17: PN: US20040 014050 IKHASI: Abangu-20 bafuna i-R NA; 18: PN: US20030198965 IKHASI: Abangu-19 bafuna i-R NA; 18: PN: US20040014699 IKHASI: 20 babanga i-R NA; 19: PN: US20040006029 IKHASI: 23 bafunwa i-R NA; 19: PN: WO03106645 IKHASI: 71 babanga i-R NA; 59: PN: US20030166592 IKHASI: Abangu-15 bafuna i-RNA; 6: PN: WO2005006958 IKHASI: Abangu-62 bafuna i-R NA; 83: PN: US20040171566 IKHASI: Abangu-18 bafuna i-R NA; 8: PN: WO2005007825
IKHASI: Ama-62 athiwa ngu-R NA; 90: PN: US20040005707 IKHASI: Abangu-20 bafuna i-R NA; N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-
i-methylcytidine
Izakhiwo ezitholakalayo |
Okushisayo |
Okushisayo
Impahla | Inani | Isimo | Umthombo |
I-Melting Point | 107-110 °C | (1) I-CAS |
(1) Penjarla, Srishylam; I-Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
I-Spectra iyatholakala
1H NMR
13C NMR
Izakhiwo ezitholakalayo |
I-Biological |
Amakhemikhali |
Ukuminyana |
I-Lipinski |
Okuhlobene Nesakhiwo |
I-Biological
Impahla | Inani | Isimo | Umthombo |
I-Bioconcentration Factor | 291 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 644 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3690 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 15600 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 23700 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 24800 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
Impahla | Inani | Isimo | Umthombo |
I-Bioconcentration Factor | 23300 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 14100 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3010 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 558 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Amakhemikhali
Impahla | Inani | Isimo | Umthombo |
Koc | 569 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1260 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 7210 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 30400 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 46300 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 48500 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 45500 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 27500 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 5890 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1090 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
logD | 4.16 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
logD | 4.50 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
logD | 5.26 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
logD | 5.88 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.07 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.09 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.06 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
logD | 5.84 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
logD | 5.17 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
logD | 4.44 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
logP | 6.093±0.720 | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Intrinsic Solubility | 1.3 x 10-4 g/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 0.011 g/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 5.0 x 10-3 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 8.7 x 10-4 g/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 2.1 x 10-4 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
Impahla | Inani | Isimo | Umthombo |
I-Mass Solubility | 1.4 x 10-4 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 1.3 x 10-4 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 1.4 x 10-4 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 2.3 x 10-4 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 1.1 x 10-3 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 5.8 x 10-3 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 1.4 x 10-4 g/L | Amanzi Angakhiqiziwe pH 6.97; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Intrinsic Solubility | 1.8 x 10-7 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.5 x 10-5 mol/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 6.9 x 10-6 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.2 x 10-6 mol/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 2.9 x 10-7 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.9 x 10-7 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.8 x 10-7 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.9 x 10-7 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 3.2 x 10-7 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.5 x 10-6 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 8.0 x 10-6 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.9 x 10-7 mol/L | Amanzi Angakhiqiziwe pH 6.97; Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 721.80 | ||
pKa | 8.60±0.40 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
pKa | 3.87±0.20 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ukuminyana
Impahla | Inani | Isimo | Umthombo |
Ukuminyana | 1.26±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
Ivolumu ye-Molar | 572.5±7.0 cm3/mol | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Lipinski
Impahla | Inani | Isimo | Umthombo |
Amabhondi Ashintshashintshayo Ngokukhululekile | 15 | (1) ACD |
Impahla | Inani | Isimo | Umthombo |
H Abamukelayo | 12 | (1) ACD | |
H Abanikeli | 2 | (1) ACD | |
H Isamba Somnikeli/Umamukeli | 14 | (1) ACD | |
logP | 6.093±0.720 | Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 721.80 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okuhlobene Nesakhiwo
Impahla | Inani | Isimo | Umthombo |
Indawo ye-Polar Surface | 137 A2 | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1H NMR
13C NMR
Ikhodi | Isitatimende Sengozi | Umthombo |
H335 | Ingabangela ukucasuka kokuphefumula | I-European Chemical Agency (ECHA) Classification&Labelling Inventory - Izigaba ezaziswe nokulebula - izaziso ezivame kakhulu, I-European Chemical Agency (ECHA) Classification&Labelling Inventory - Isigaba esazisiwe kanye nokulebula - izaziso ezibucayi kakhulu |
H319 | Ibangela ukucasuka kwamehlo okukhulu | I-European Chemical Agency (ECHA) Classification&Labelling Inventory - Izigaba ezaziswe nokulebula - izaziso ezivame kakhulu, I-European Chemical Agency (ECHA) Classification&Labelling Inventory - Isigaba esazisiwe kanye nokulebula - izaziso ezibucayi kakhulu |
H315 | Ibangela ukucasuka kwesikhumba | I-European Chemical Agency (ECHA) Classification&Labelling Inventory - Izigaba ezaziswe nokulebula - izaziso ezivame kakhulu, I-European Chemical Agency (ECHA) Classification&Labelling Inventory - Isigaba esazisiwe kanye nokulebula - izaziso ezibucayi kakhulu |