ChemSpider 2D Image | 4-Amino-1-(3-C-ethynyl-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone | C11H13N3O5

4-Amino-1-(3-C-ethynyl-β-D-arabinofuranosyl)-2(1H)-pyrimidinone

  • Molecular FormulaC11H13N3O5
  • Average mass267.238 Da
  • Monoisotopic mass267.085510 Da
  • ChemSpider ID128924671

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-(3-C-ethynyl-β-D-arabinofuranosyl)- [ACD/Index Name]
4-Amino-1-(3-C-ethinyl-β-D-arabinofuranosyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-(3-C-ethynyl-β-D-arabinofuranosyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(3-C-éthynyl-β-D-arabinofuranosyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
180300-43-0 [RN]
Cytidine, 3'-C-ethynyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 536.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 278.2±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 62.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.35
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.46
Polar Surface Area: 129 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 71.2±7.0 dyne/cm
Molar Volume: 165.1±7.0 cm3

Click to predict properties on the Chemicalize site


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