ChemSpider 2D Image | (3S,4R)-3,4-Dihydroxy-2-oxoheptyl dihydrogen phosphate | C7H15O7P

(3S,4R)-3,4-Dihydroxy-2-oxoheptyl dihydrogen phosphate

  • Molecular FormulaC7H15O7P
  • Average mass242.164 Da
  • Monoisotopic mass242.055542 Da
  • ChemSpider ID67490340
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,4R)-3,4-Dihydroxy-2-oxoheptyl dihydrogen phosphate [ACD/IUPAC Name]
(3S,4R)-3,4-Dihydroxy-2-oxoheptyldihydrogenphosphat [German] [ACD/IUPAC Name]
2-Heptanone, 3,4-dihydroxy-1-(phosphonooxy)-, (3S,4R)- [ACD/Index Name]
Dihydrogénophosphate de (3S,4R)-3,4-dihydroxy-2-oxoheptyle [French] [ACD/IUPAC Name]
5,6,7-Trideoxy-D-threoheptulose-1-phosphat

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

Density: 1.5±0.1 g/cm3
Boiling Point: 492.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.5±6.0 kJ/mol
Flash Point: 251.6±31.5 °C
Index of Refraction: 1.517
Molar Refractivity: 49.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.51
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): -6.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 69.5±3.0 dyne/cm
Molar Volume: 162.5±3.0 cm3

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