ChemSpider 2D Image | (2S)-2,3,3-Trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate | C8H17O8P

(2S)-2,3,3-Trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate

  • Molecular FormulaC8H17O8P
  • Average mass272.190 Da
  • Monoisotopic mass272.066101 Da
  • ChemSpider ID35035822

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2,3,3-Trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate [ACD/IUPAC Name]
(2S)-2,3,3-Trihydroxy-6-methyl-4-oxoheptyldihydrogenphosphat [German] [ACD/IUPAC Name]
4-Heptanone, 2,3,3-trihydroxy-6-methyl-1-(phosphonooxy)-, (2S)- [ACD/Index Name]
Dihydrogénophosphate de (2S)-2,3,3-trihydroxy-6-méthyl-4-oxoheptyle [French] [ACD/IUPAC Name]
D8X

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

Density: 1.5±0.1 g/cm3
Boiling Point: 571.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.4±6.0 kJ/mol
Flash Point: 299.4±32.9 °C
Index of Refraction: 1.539
Molar Refractivity: 55.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -4.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 75.7±3.0 dyne/cm
Molar Volume: 176.6±3.0 cm3

Click to predict properties on the Chemicalize site


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