ChemSpider 2D Image | 9-{5-O-[(S)-{[(2R)-2-Amino-6-({[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-ylmethoxy]carbonyl}amino)hexanoyl]oxy}(hydroxy)phosphoryl]-alpha-L-arabinofuranosyl}-9H-purin-6-amine | C25H36N7O10P

9-{5-O-[(S)-{[(2R)-2-Amino-6-({[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-ylmethoxy]carbonyl}amino)hexanoyl]oxy}(hydroxy)phosphoryl]-α-L-arabinofuranosyl}-9H-purin-6-amine

  • Molecular FormulaC25H36N7O10P
  • Average mass625.568 Da
  • Monoisotopic mass625.226135 Da
  • ChemSpider ID35034108

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

9-{5-O-[(S)-{[(2R)-2-Amino-6-({[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-ylmethoxy]carbonyl}amino)hexanoyl]oxy}(hydroxy)phosphoryl]-α-L-arabinofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{5-O-[(S)-{[(2R)-2-Amino-6-({[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-ylmethoxy]carbonyl}amino)hexanoyl]oxy}(hydroxy)phosphoryl]-α-L-arabinofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{5-O-[(S)-{[(2R)-2-Amino-6-({[(1S,2S,4S)-bicyclo[2.2.1]hept-5-én-2-ylméthoxy]carbonyl}amino)hexanoyl]oxy}(hydroxy)phosphoryl]-α-L-arabinofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[(S)-[[(2R)-2-amino-6-[[[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-ylmethoxy]carbonyl]amino]-1-oxohexyl]oxy]hydroxyphosphinyl]-α-L-arabinofuranosyl]- [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: 1.765
Molar Refractivity: 142.5±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -3.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 88.0±7.0 dyne/cm
Molar Volume: 344.8±7.0 cm3

Click to predict properties on the Chemicalize site


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