ChemSpider 2D Image | (2xi)-2'-O-[(2R,3S)-2,3,4-Trihydroxy-3-methylbutyl]cytidine 5'-(trihydrogen diphosphate) | C14H25N3O14P2

(2ξ)-2'-O-[(2R,3S)-2,3,4-Trihydroxy-3-methylbutyl]cytidine 5'-(trihydrogen diphosphate)

  • Molecular FormulaC14H25N3O14P2
  • Average mass521.307 Da
  • Monoisotopic mass521.081177 Da
  • ChemSpider ID8477127

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2ξ)-2'-O-[(2R,3S)-2,3,4-Trihydroxy-3-methylbutyl]cytidin5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
(2ξ)-2'-O-[(2R,3S)-2,3,4-Trihydroxy-3-methylbutyl]cytidine 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
(2ξ)-2'-O-[(2R,3S)-2,3,4-Trihydroxy-3-méthylbutyl]cytidine-5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]
Cytidine, 2'-O-[(2R,3S)-2,3,4-trihydroxy-3-methylbutyl]-, 5'-(trihydrogen diphosphate), (2ξ)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 887.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.5±6.0 kJ/mol
Flash Point: 490.5±37.1 °C
Index of Refraction: 1.697
Molar Refractivity: 99.0±0.5 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -5.08
ACD/LogD (pH 5.5): -10.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 109.4±7.0 dyne/cm
Molar Volume: 257.1±7.0 cm3

Click to predict properties on the Chemicalize site


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