ChemSpider 2D Image | 2,5-Anhydro-4,6-dideoxy-4-[(3,5-dimethoxybenzoyl)amino]-6-{6-[(diphenylmethyl)amino]-9H-purin-9-yl}-D-ribo-hexitol | C33H34N6O6

2,5-Anhydro-4,6-dideoxy-4-[(3,5-dimethoxybenzoyl)amino]-6-{6-[(diphenylmethyl)amino]-9H-purin-9-yl}-D-ribo-hexitol

  • Molecular FormulaC33H34N6O6
  • Average mass610.660 Da
  • Monoisotopic mass610.253967 Da
  • ChemSpider ID23157083
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






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

2,5-Anhydro-4,6-dideoxy-4-[(3,5-dimethoxybenzoyl)amino]-6-{6-[(diphenylmethyl)amino]-9H-purin-9-yl}-D-ribo-hexitol [ACD/IUPAC Name]
2,5-Anhydro-4,6-didesoxy-4-[(3,5-dimethoxybenzoyl)amino]-6-{6-[(diphenylmethyl)amino]-9H-purin-9-yl}-D-ribo-hexitol [German] [ACD/IUPAC Name]
2,5-Anhydro-4,6-didésoxy-4-[(3,5-diméthoxybenzoyl)amino]-6-{6-[(diphénylméthyl)amino]-9H-purin-9-yl}-D-ribo-hexitol [French] [ACD/IUPAC Name]
D-ribo-Hexitol, 2,5-anhydro-4,6-dideoxy-4-[(3,5-dimethoxybenzoyl)amino]-6-[6-[(diphenylmethyl)amino]-9H-purin-9-yl]- [ACD/Index Name]
CHEMBL66196
N-{2-[6-(Benzhydryl-amino)-purin-9-ylmethyl]-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl}-3,5-dimethoxy-benzamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 164.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 156.50
ACD/KOC (pH 5.5): 1293.13
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.51
ACD/KOC (pH 7.4): 1301.49
Polar Surface Area: 153 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 435.5±7.0 cm3

Click to predict properties on the Chemicalize site






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