ChemSpider 2D Image | 9-(2-Deoxy-D-erythro-pentofuranosyl)-N-(2,3,4-trihydroxy-7,12-dimethyl-1,2,3,4-tetrahydro-1-tetraphenyl)-9H-purin-6-amine | C30H31N5O6

9-(2-Deoxy-D-erythro-pentofuranosyl)-N-(2,3,4-trihydroxy-7,12-dimethyl-1,2,3,4-tetrahydro-1-tetraphenyl)-9H-purin-6-amine

  • Molecular FormulaC30H31N5O6
  • Average mass557.597 Da
  • Monoisotopic mass557.227417 Da
  • ChemSpider ID113054
  • defined stereocentres - 2 of 7 defined stereocentres


More details:






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

9-(2-Deoxy-D-erythro-pentofuranosyl)-N-(2,3,4-trihydroxy-7,12-dimethyl-1,2,3,4-tetrahydro-1-tetraphenyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(2-Desoxy-D-erythro-pentofuranosyl)-N-(2,3,4-trihydroxy-7,12-dimethyl-1,2,3,4-tetrahydro-1-tetraphenyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(2-Désoxy-D-érythro-pentofuranosyl)-N-(2,3,4-trihydroxy-7,12-diméthyl-1,2,3,4-tétrahydro-1-tétraphényl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-(2-deoxy-D-erythro-pentofuranosyl)-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12-dimethylbenz[a]anthracen-1-yl)- [ACD/Index Name]
(1α,2β,3β,4α)-2'-Deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12-dimethylbenz(a)anthracen-1-yl)adenosine
7,12-Dimethylbenz(a)anthracene-deoxyadenosine adduct
99745-70-7 [RN]
Adenosine, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12-dimethylbenz(a)anthracen-1-yl)-, (1α,2β,3β,4α)-
Dmba-dado

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 926.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.1±3.0 kJ/mol
Flash Point: 514.0±37.1 °C
Index of Refraction: 1.807
Molar Refractivity: 144.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.92
ACD/KOC (pH 5.5): 970.69
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.57
ACD/KOC (pH 7.4): 976.73
Polar Surface Area: 166 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 71.0±7.0 dyne/cm
Molar Volume: 335.8±7.0 cm3

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