ChemSpider 2D Image | 9-[5-Deoxy-2,3-O-isopropylidene-5-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)-beta-L-ribofuranosyl]-9H-purin-6-amine | C25H34N10O4S

9-[5-Deoxy-2,3-O-isopropylidene-5-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)-β-L-ribofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC25H34N10O4S
  • Average mass570.667 Da
  • Monoisotopic mass570.248535 Da
  • ChemSpider ID58889156

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

9-[5-Deoxy-2,3-O-isopropylidene-5-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)-β-L-ribofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[5-Desoxy-2,3-O-isopropyliden-5-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)-β-L-ribofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[5-Désoxy-2,3-O-isopropylidène-5-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)-β-L-ribofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-deoxy-5-[4-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]pentyl]-1H-1,2,3-triazol-1-yl]-2,3-O-(1-methylethylidene)-β-L-ribofuranosyl]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.856
Molar Refractivity: 144.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 41.83
ACD/KOC (pH 5.5): 500.28
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.77
ACD/KOC (pH 7.4): 511.53
Polar Surface Area: 194 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 80.9±7.0 dyne/cm
Molar Volume: 320.9±7.0 cm3

Click to predict properties on the Chemicalize site


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