ChemSpider 2D Image | (3xi)-2'-Chloro-2'-deoxycytidine | C9H12ClN3O4

(3ξ)-2'-Chloro-2'-deoxycytidine

  • Molecular FormulaC9H12ClN3O4
  • Average mass261.662 Da
  • Monoisotopic mass261.051636 Da
  • ChemSpider ID113618297

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3ξ)-2'-Chlor-2'-desoxycytidin [German] [ACD/IUPAC Name]
(3ξ)-2'-Chloro-2'-deoxycytidine [ACD/IUPAC Name]
(3ξ)-2'-Chloro-2'-désoxycytidine [French] [ACD/IUPAC Name]
Cytidine, 2'-chloro-2'-deoxy-, (3ξ)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 551.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 287.2±32.9 °C
Index of Refraction: 1.736
Molar Refractivity: 56.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.43
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.93
ACD/LogD (pH 7.4): -1.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.06
Polar Surface Area: 108 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 78.7±7.0 dyne/cm
Molar Volume: 140.5±7.0 cm3

Click to predict properties on the Chemicalize site


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