Found 1 result

Search term: 5-epi-valiolone 7-phosphate (Found by approved synonym)

ChemSpider 2D Image | 5-epi-valiolone 7-phosphate | C7H13O9P

5-epi-valiolone 7-phosphate

  • Molecular FormulaC7H13O9P
  • Average mass272.147 Da
  • Monoisotopic mass272.029724 Da
  • ChemSpider ID57487943
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

[(1R,2S,3S,4R)-1,2,3,4-Tetrahydroxy-5-oxocyclohexyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(1R,2S,3S,4R)-1,2,3,4-Tetrahydroxy-5-oxocyclohexyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
5-epi-valiolone 7-phosphate
Cyclohexanone, 2,3,4,5-tetrahydroxy-5-[(phosphonooxy)methyl]-, (2R,3S,4S,5R)- [ACD/Index Name]
Dihydrogénophosphate de [(1R,2S,3S,4R)-1,2,3,4-tétrahydroxy-5-oxocyclohexyl]méthyle [French] [ACD/IUPAC Name]
CYCLOHEXANONE, 2,3,4,5-TETRAHYDROXY-5-[(PHOSPHONOOXY)METHYL]-,(2R,3S,4S,5R)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 550.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.5±6.0 kJ/mol
Flash Point: 286.6±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 50.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -5.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 142.8±3.0 dyne/cm
Molar Volume: 135.9±3.0 cm3

Click to predict properties on the Chemicalize site






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