ChemSpider 2D Image | 9-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-beta-D-erythro-pentofuranosyl}-2-{(E)-[(dimethylamino)methylene]amino}-9H-purine | C34H36N6O5

9-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-β-D-erythro-pentofuranosyl}-2-{(E)-[(dimethylamino)methylene]amino}-9H-purine

  • Molecular FormulaC34H36N6O5
  • Average mass608.687 Da
  • Monoisotopic mass608.274719 Da
  • ChemSpider ID22937893

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

869354-94-9 [RN]
9-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-β-D-erythro-pentofuranosyl}-2-{(E)-[(dimethylamino)methylene]amino}-9H-purine [ACD/IUPAC Name]
9-{5-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2-desoxy-β-D-erythro-pentofuranosyl}-2-{(E)-[(dimethylamino)methylen]amino}-9H-purin [German] [ACD/IUPAC Name]
9-{5-O-[Bis(4-méthoxyphényl)(phényl)méthyl]-2-désoxy-β-D-érythro-pentofuranosyl}-2-{(E)-[(diméthylamino)méthylène]amino}-9H-purine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 9-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-β-D-erythro-pentofuranosyl]-N-[(1E)-(dimethylamino)methylene]- [ACD/Index Name]
2-(DMF)AMINO-9-(5-O-(DMT)-β-D-2-DEOXYRIBOFURANOSYL)PURINE
5'-O-(DIMETHOXYTRITYL)-2-(DIMETHYLAMINOMETHYLIDENE-AMINO)PURINE-2'-DEOXYRIBOSIDE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 799.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 437.5±35.7 °C
Index of Refraction: 1.639
Molar Refractivity: 170.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 992.72
ACD/KOC (pH 5.5): 4822.82
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1020.32
ACD/KOC (pH 7.4): 4956.88
Polar Surface Area: 116 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 473.2±7.0 cm3

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