Found 1 result

Search term: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Cl)COP(=O)(O)O)O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 5-Chloro-2'-deoxycytidine 5'-(dihydrogen phosphate) | C9H13ClN3O7P

5-Chloro-2'-deoxycytidine 5'-(dihydrogen phosphate)

  • Molecular FormulaC9H13ClN3O7P
  • Average mass341.642 Da
  • Monoisotopic mass341.017975 Da
  • ChemSpider ID18628194

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5-Chlor-2'-desoxycytidin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
5-Chloro-2'-deoxycytidine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
5-Chloro-2'-désoxycytidine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Cytidine, 5-chloro-2'-deoxy-, 5'-(dihydrogen phosphate) [ACD/Index Name]

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

Density: 2.1±0.0 g/cm3
Boiling Point: 630.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 106.9±0.0 kJ/mol
Flash Point: 335.0±0.0 °C
Index of Refraction: 1.755
Molar Refractivity: 66.3±0.0 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -5.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 26.3±0.0 10-24cm3
Surface Tension: 107.1±0.0 dyne/cm
Molar Volume: 162.0±0.0 cm3

Click to predict properties on the Chemicalize site


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