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

vokatra

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

Fampahafantarana fototra:


Product Detail

Tags vokatra

Toetra ara-batana

Toetra ara-batana fototra sarobidy toe-javatra
Lanja molekiola 617.69 -
Teboka mangotraka (voavinavina) 762,6±70,0 °C Press: 760 Torr
Density (voavinavina) 1,27±0,1 g/cm3 Mafana: 20 °C; Press: 760 Torr
pKa (voavinavina) 13.31±0.70 Mafana asidra indrindra: 25 °C

Anarana sy famantarana hafa

SMILES Canonical O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5) C(O)C2OCCOC)C
SMILES Isomerik 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
InChI
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
InChI Key
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Anarana hafa ho an'ity akora ity
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 11: PN: US20030170636 PEJY: 17 milaza fa ARN; 12: PN: US20030211606 PEJY: 18 nilaza R NA; 12: PN: US20030212017 PEJY: 19 nilaza R NA; 14: PN: US20040005569 PAGE: 21 nilaza R NA; 15: PN: US20040005565 PEJY: 17- 22 milaza fa ARN; 15: PN: US20040005570 PEJY: 19 nilaza R NA; 15: PN: U S20040006030 PEJY: 22 milaza R NA; 15: PN: US20040014048 PEJY: 19 nilaza R NA; 16: PN: US20030171313 PEJY: 9 milaza fa RNA; 16: PN: US20030198965 PEJY: 19 nilaza R NA; 16: PN: US20040014047 PEJY: 19 nilaza R NA; 16: PN: US20040014049 PEJY:

19 no nilaza ny ARN; 17: PN: US20040014051 PEJY: 21 milaza R NA; 17: PN: US20040014699 PEJY: 19 nilaza R NA; 17: NY: W
O03106645 PEJY: 69 nilaza R NA; 18: PN: US20040006029 PEJY: 22 nilaza R NA; 2′-O-Methoxyethyl-5′-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 PEJY: 15 nilaza R NA; 5: PN: WO2005006958 PEJY: 61 nilaza R NA; 7: PN: WO20050 07825 PEJY: 61 nilaza R NA; 82: PN: US20040171566 PEJY: 18 milaza R NA; 89: PN: US20040005707 PEJY: 19 nilaza R NA; 9: PN: WO03084478 PEJY: 56 nilaza R NA

Properties vinavinaina

Properties misy
niteraka
simika
hakitroky
Lipinski
Structure Related
mafana

niteraka

NY FANANANA sarobidy toe-javatra Source
Bioconcentration Factor 1.56 pH 1; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.99 pH 2; Mafana: 25 °C (1) ACD
Bioconcentration Factor 6.19 pH 3; Mafana: 25 °C (1) ACD
Bioconcentration Factor 38.0 pH 4; Mafana: 25 °C (1) ACD
Bioconcentration Factor 116 pH 5; Mafana: 25 °C (1) ACD
Bioconcentration Factor 146 pH 6; Mafana: 25 °C (1) ACD
Bioconcentration Factor 150 pH 7; Mafana: 25 °C (1) ACD
Bioconcentration Factor 151 pH 8; Mafana: 25 °C (1) ACD
Bioconcentration Factor 151 pH 9; Mafana: 25 °C (1) ACD
Bioconcentration Factor 151 pH 10; Mafana: 25 °C (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

simika

NY FANANANA sarobidy toe-javatra Source
Koc 13.0 pH 1; Mafana: 25 °C (1) ACD
Koc 16.6 pH 2; Mafana: 25 °C (1) ACD
Koc 51.8 pH 3; Mafana: 25 °C (1) ACD
Koc 318 pH 4; Mafana: 25 °C (1) ACD
Koc 966 pH 5; Mafana: 25 °C (1) ACD
Koc 1220 pH 6; Mafana: 25 °C (1) ACD
Koc 1260 pH 7; Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Koc 1260 pH 8; Mafana: 25 °C (1) ACD
Koc 1260 pH 9; Mafana: 25 °C (1) ACD
Koc 1260 pH 10; Mafana: 25 °C (1) ACD
logD 1.18 pH 1; Mafana: 25 °C (1) ACD
logD 1.29 pH 2; Mafana: 25 °C (1) ACD
logD 1.78 pH 3; Mafana: 25 °C (1) ACD
logD 2.57 pH 4; Mafana: 25 °C (1) ACD
logD 3.05 pH 5; Mafana: 25 °C (1) ACD
logD 3.16 pH 6; Mafana: 25 °C (1) ACD
logD 3.17 pH 7; Mafana: 25 °C (1) ACD
logD 3.17 pH 8; Mafana: 25 °C (1) ACD
logD 3.17 pH 9; Mafana: 25 °C (1) ACD
logD 3.17 pH 10; Mafana: 25 °C (1) ACD
logP 3.169±0.598 Mafana: 25 °C (1) ACD
Faobe Intrinsic Solubility 5,2 x 10-3 g/L Mafana: 25 °C (1) ACD
Mass Solubility 0,51 g/L pH 1; Mafana: 25 °C (1) ACD
Mass Solubility 0,40 g/L pH 2; Mafana: 25 °C (1) ACD
Mass Solubility 0,13 g/L pH 3; Mafana: 25 °C (1) ACD
Mass Solubility 0,020 g/L pH 4; Mafana: 25 °C (1) ACD
Mass Solubility 6,8 x 10-3 g/L pH 5; Mafana: 25 °C (1) ACD
Mass Solubility 5,4 x 10-3 g/L pH 6; Mafana: 25 °C (1) ACD
Mass Solubility 5,3 x 10-3 g/L pH 7; Mafana: 25 °C (1) ACD
Mass Solubility 5,2 x 10-3 g/L pH 8; Mafana: 25 °C (1) ACD
Mass Solubility 5,2 x 10-3 g/L pH 9; Mafana: 25 °C (1) ACD
Mass Solubility 5,2 x 10-3 g/L pH 10; Mafana: 25 °C (1) ACD
Mass Solubility 5,3 x 10-3 g/L Rano tsy voaaro pH 7.05; Mafana: 25 °C (1) ACD
Molar intrinsic solubility 8,4 x 10-6 mol/L Mafana: 25 °C (1) ACD
Molar Solubility 8,2 x 10-4 mol/L pH 1; Mafana: 25 °C (1) ACD
Molar Solubility 6,4 x 10-4 mol/L pH 2; Mafana: 25 °C (1) ACD
Molar Solubility 2,1 x 10-4 mol/L pH 3; Mafana: 25 °C (1) ACD
Molar Solubility 3,3 x 10-5 mol/L pH 4; Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-5 mol/L pH 5; Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Molar Solubility 8,7 x 10-6 mol/L pH 6; Mafana: 25 °C (1) ACD
Molar Solubility 8,5 x 10-6 mol/L pH 7; Mafana: 25 °C (1) ACD
Molar Solubility 8,4 x 10-6 mol/L pH 8; Mafana: 25 °C (1) ACD
Molar Solubility 8,4 x 10-6 mol/L pH 9; Mafana: 25 °C (1) ACD
Molar Solubility 8,4 x 10-6 mol/L pH 10; Mafana: 25 °C (1) ACD
Molar Solubility 8,5 x 10-6 mol/L Rano tsy voaaro pH 7.05; Mafana: 25 °C (1) ACD
Lanja molekiola 617.69    
pKa 13.31±0.70 Mafana asidra indrindra: 25 °C (1) ACD
pKa 4.58±0.10 Ny mari-pana fototra indrindra: 25 °C (1) ACD
Fanerena ny etona 1.89 x 10-24 Torr Mafana: 25 °C (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

hakitroky

NY FANANANA sarobidy toe-javatra Source
hakitroky 1,27±0,1 g/cm3 Mafana: 20 °C; Press: 760 Torr (1) ACD
Boky molar 483.8±7.0 cm3/mol Mafana: 20 °C; Press: 760 Torr (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

NY FANANANA sarobidy toe-javatra Source
Fatorana azo ahodina malalaka 14   (1) ACD
H Acceptors 11   (1) ACD
H Mpanome 3   (1) ACD
H Donor/Acceptor Sum 14   (1) ACD
logP 3.169±0.598 Mafana: 25 °C (1) ACD
Lanja molekiola 617.69    

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Structure Related

NY FANANANA sarobidy

toe-javatra

Source
Faritra ambonin'ny polar 134 A2 (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

mafana

NY FANANANA sarobidy toe-javatra Source
Teboka mangotraka 762,6±70,0 °C Press: 760 Torr (1) ACD
Enthalpy de evaporation 116,53±3,0 kJ/mol Press: 760 Torr (1) ACD
Flash point 415.0±35.7 °C   (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra vinavina

Spectra misy
1H NMR
13C NMR


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