ChemSpider 2D Image | (2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxy(1-~13~C)cyclohexyl dihydrogen phosphate | C513CH13O9P

(2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxy(1-13C)cyclohexyl dihydrogen phosphate

  • Molecular FormulaC513CH13O9P
  • Average mass261.128 Da
  • Monoisotopic mass261.033081 Da
  • ChemSpider ID8834400
  • defined stereocentres - 4 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxy(1-13C)cyclohexyl dihydrogen phosphate [ACD/IUPAC Name]
(2R,3R,5S,6R)-2,3,4,5,6-Pentahydroxy(1-13C)cyclohexyldihydrogenphosphat [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol-1-13C, 1-(dihydrogen phosphate), (2R,3R,5S,6R)- [ACD/Index Name]
Dihydrogénophosphate de (2R,3R,5S,6R)-2,3,4,5,6-pentahydroxy(1-13C)cyclohexyle [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 46.9±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 137.1±5.0 dyne/cm
Molar Volume: 128.4±5.0 cm3

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