ChemSpider 2D Image | 2-Amino-9-[(2xi)-2,3,5-tri-O-acetyl-beta-L-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one | C16H19N5O8

2-Amino-9-[(2ξ)-2,3,5-tri-O-acetyl-β-L-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC16H19N5O8
  • Average mass409.351 Da
  • Monoisotopic mass409.123352 Da
  • ChemSpider ID78361751

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Amino-9-[(2ξ)-2,3,5-tri-O-acetyl-β-L-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-[(2ξ)-2,3,5-tri-O-acetyl-β-L-threo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-[(2ξ)-2,3,5-tri-O-acétyl-β-L-thréo-pentofuranosyl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2ξ)-2,3,5-tri-O-acetyl-β-L-threo-pentofuranosyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 92.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.63
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.54
Polar Surface Area: 173 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 67.9±7.0 dyne/cm
Molar Volume: 238.7±7.0 cm3

Click to predict properties on the Chemicalize site


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