C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)

umkhiqizo

C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)

Ulwazi Oluyisisekelo:


Imininingwane Yomkhiqizo

Omaka bomkhiqizo

Izici ezingokomzimba

Izici Zomzimba Eziyinhloko Inani Isimo
Isisindo samangqamuzana 617.69 -
Iphoyinti lokubilisa (elibikezelwe) 762.6±70.0 °C Cindezela: 760 Torr
Ukuminyana (Kubikezelwe) 1.27±0.1 g/cm3 Izinga lokushisa: 20 °C; Cindezela: 760 Torr
pKa (Kubikezelwe) 13.31±0.70 Izinga Le-Acidic Elikhulu: 25 °C

Amanye Amagama Nezihlonzi

I-Canonical AMAMOTHEKA O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5) C(O)C2OCCOC)C
I-Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2 )(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
I-InChI
I-InChI=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19 -18-40-2)29(38)28(45-32)21-44-34(23-8-6-5-7-9-23,24-10-14-26(4) 1-3)15-11-24)25-12-16-27(42-4)17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1- 4H3,(H2,35,36,39)/t28-,29-,30-,32-/m1/s1
Ukhiye we-InchI
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Amanye Amagama Alesi Sitho
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 11: PN: US20030170636 IKHASI: Abangu-17 bafuna i-RNA; 12: PN: US20030211606 IKHASI: Abangu-18 bafuna i-R NA; 12: PN: US20030212017 IKHASI: Abangu-19 bafuna i-R NA; 14: PN: US20040005569 I-PAG E: 21 ibango i-R NA; 15: PN: US20040005565 IKHASI: 17- 22 bafuna i-RNA; 15: PN: US20040005570 IKHASI: Abangu-19 bafuna i-R NA; 15: PN: U S20040006030 IKHASI: Abangu-22 bafuna i-R NA; 15: PN: US20040014048 IKHASI: Abangu-19 bafuna i-R NA; 16: PN: US20030171313 IKHASI: Abangu-9 bafuna i-RNA; 16: PN: US20030198965 IKHASI: Abangu-19 bafuna i-R NA; 16: PN: US20040014047 IKHASI: Abangu-19 bafuna i-R NA; 16: PN: US20040014049 IKHASI:

I-19 ithi i-RNA; 17: PN: US20040014051 IKHASI: 21 ibango i-R NA; 17: PN: US20040014699 IKHASI: Abangu-19 bafuna i-R NA; 17: PN: W
O03106645 IKHASI: 69 okufunwa u-R NA; 18: PN: US20040006029 IKHASI: Abangu-22 bafuna i-R NA; I-2'-O-Methoxyethyl-5'-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 IKHASI: Abangu-15 bafuna i-R NA; 5: PN: WO2005006958 IKHASI: Abangu-61 bafuna i-R NA; 7: PN: WO20050 07825 IKHASI: 61 bafune u-R NA; 82: PN: US20040171566 IKHASI: I-18 ifuna i-R NA; 89: PN: US20040005707 IKHASI: Abangu-19 bafuna i-R NA; 9: PN: WO03084478 IKHASI: 56 ibango i-R NA

Izakhiwo Ezibikezelwe

Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Ukuminyana
I-Lipinski
Okuhlobene Nesakhiwo
Okushisayo

I-Biological

Impahla Inani Isimo Umthombo
I-Bioconcentration Factor 1.56 i-pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.99 pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 6.19 pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 38.0 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 116 pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 146 pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 150 pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 151 pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 151 pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 151 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 13.0 i-pH 1; Izinga lokushisa: 25 °C (1) ACD
Koc 16.6 pH 2; Izinga lokushisa: 25 °C (1) ACD
Koc 51.8 pH 3; Izinga lokushisa: 25 °C (1) ACD
Koc 318 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
Koc 966 pH 5; Izinga lokushisa: 25 °C (1) ACD
Koc 1220 pH 6; Izinga lokushisa: 25 °C (1) ACD
Koc 1260 pH 7; Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
Koc 1260 pH 8; Izinga lokushisa: 25 °C (1) ACD
Koc 1260 pH 9; Izinga lokushisa: 25 °C (1) ACD
Koc 1260 pH 10; Izinga lokushisa: 25 °C (1) ACD
logD 1.18 i-pH 1; Izinga lokushisa: 25 °C (1) ACD
logD 1.29 pH 2; Izinga lokushisa: 25 °C (1) ACD
logD 1.78 pH 3; Izinga lokushisa: 25 °C (1) ACD
logD 2.57 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
logD 3.05 pH 5; Izinga lokushisa: 25 °C (1) ACD
logD 3.16 pH 6; Izinga lokushisa: 25 °C (1) ACD
logD 3.17 pH 7; Izinga lokushisa: 25 °C (1) ACD
logD 3.17 pH 8; Izinga lokushisa: 25 °C (1) ACD
logD 3.17 pH 9; Izinga lokushisa: 25 °C (1) ACD
logD 3.17 pH 10; Izinga lokushisa: 25 °C (1) ACD
logP 3.169±0.598 Izinga lokushisa: 25 °C (1) ACD
I-Mass Intrinsic Solubility 5.2 x 10-3 g/L Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 0.51 g/L i-pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 0.40 g/L pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 0.13 g/L pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 0.020 g/L i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 6.8 x 10-3 g/L pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 5.4 x 10-3 g/L pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 5.3 x 10-3 g/L pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 5.2 x 10-3 g/L pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 5.2 x 10-3 g/L pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 5.2 x 10-3 g/L pH 10; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 5.3 x 10-3 g/L Amanzi Angahlutshiwe pH 7.05; Izinga lokushisa: 25 °C (1) ACD
I-Molar Intrinsic Solubility 8.4 x 10-6 mol/L Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 8.2 x 10-4 mol/L i-pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 6.4 x 10-4 mol/L pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 2.1 x 10-4 mol/L pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 3.3 x 10-5 mol/L i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.1 x 10-5 mol/L pH 5; Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
I-Molar Solubility 8.7 x 10-6 mol/L pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 8.5 x 10-6 mol/L pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 8.4 x 10-6 mol/L pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 8.4 x 10-6 mol/L pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 8.4 x 10-6 mol/L pH 10; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 8.5 x 10-6 mol/L Amanzi Angahlutshiwe pH 7.05; Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 617.69    
pKa 13.31±0.70 Izinga Le-Acidic Elikhulu: 25 °C (1) ACD
pKa 4.58±0.10 Izinga Lokushisa Eziyisisekelo: 25 °C (1) ACD
I-Vapor Pressure 1.89 x 10-24 Torr Izinga lokushisa: 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 1.27±0.1 g/cm3 Izinga lokushisa: 20 °C; Cindezela: 760 Torr (1) ACD
Ivolumu ye-Molar 483.8±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 14   (1) ACD
H Abamukelayo 11   (1) ACD
H Abanikeli 3   (1) ACD
H Isamba Somnikeli/Umamukeli 14   (1) ACD
logP 3.169±0.598 Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 617.69    

(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 134 A2 (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Okushisayo

Impahla Inani Isimo Umthombo
Iphuzu elibilayo 762.6±70.0 °C Cindezela: 760 Torr (1) ACD
I-Enthalpy ye-Vaporization 116.53±3.0 kJ/mol Cindezela: 760 Torr (1) ACD
I-Flash Point 415.0±35.7 °C   (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


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