ChemSpider 2D Image | 1-[(3xi)-3-O-Acetyl-2-deoxy-5-O-phosphono-beta-D-glycero-pentofuranosyl]-4-(benzoylamino)-2(1H)-pyrimidinone | C18H20N3O9P

1-[(3ξ)-3-O-Acetyl-2-deoxy-5-O-phosphono-β-D-glycero-pentofuranosyl]-4-(benzoylamino)-2(1H)-pyrimidinone

  • Molecular FormulaC18H20N3O9P
  • Average mass453.340 Da
  • Monoisotopic mass453.093719 Da
  • ChemSpider ID57491803

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-[(3ξ)-3-O-Acetyl-2-deoxy-5-O-phosphono-β-D-glycero-pentofuranosyl]-4-(benzoylamino)-2(1H)-pyrimidinone [ACD/IUPAC Name]
1-[(3ξ)-3-O-Acetyl-2-desoxy-5-O-phosphono-β-D-glycero-pentofuranosyl]-4-(benzoylamino)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-[(3ξ)-3-O-Acétyl-2-désoxy-5-O-phosphono-β-D-glycéro-pentofuranosyl]-4-(benzoylamino)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-[(3ξ)-3-O-acetyl-2-deoxy-5-O-phosphono-β-D-glycero-pentofuranosyl]-4-(benzoylamino)- [ACD/Index Name]
23701-96-4 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 103.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.02
ACD/LogD (pH 5.5): -4.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 72.2±7.0 dyne/cm
Molar Volume: 279.5±7.0 cm3

Click to predict properties on the Chemicalize site


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