ChemSpider 2D Image | 4-Amino-1-[(3xi)-2,5-dideoxy-5-fluoro-4-(hydroxymethyl)-D-glycero-pentofuranosyl]-2(1H)-pyrimidinone | C10H14FN3O4

4-Amino-1-[(3ξ)-2,5-dideoxy-5-fluoro-4-(hydroxymethyl)-D-glycero-pentofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC10H14FN3O4
  • Average mass259.234 Da
  • Monoisotopic mass259.096832 Da
  • ChemSpider ID24816458

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[(3ξ)-2,5-dideoxy-5-fluoro-4-C-(hydroxymethyl)-D-glycero-pentofuranosyl]- [ACD/Index Name]
4-Amino-1-[(3ξ)-2,5-dideoxy-5-fluoro-4-(hydroxymethyl)-D-glycero-pentofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(3ξ)-2,5-didesoxy-5-fluor-4-(hydroxymethyl)-D-glycero-pentofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[(3ξ)-2,5-didésoxy-5-fluoro-4-(hydroxyméthyl)-D-glycéro-pentofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
ZINC00023158

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

Density: 1.7±0.1 g/cm3
Boiling Point: 505.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 259.4±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 56.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.34
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.49
Polar Surface Area: 108 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 65.9±7.0 dyne/cm
Molar Volume: 155.5±7.0 cm3

Click to predict properties on the Chemicalize site


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