C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315

umkhiqizo

C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315

Ulwazi Oluyisisekelo:


Imininingwane Yomkhiqizo

Omaka bomkhiqizo

Izici ezingokomzimba

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

Amanye Amagama Nezihlonzi

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 Zokuhlola

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 yokuhlola

I-Spectra iyatholakala
1H NMR
13C NMR

Izakhiwo Ezibikezelwe

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 ebikezelwe

I-Spectra iyatholakala
1H NMR
13C NMR

Izitatimende Zengozi ye-GHS

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

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