ChemSpider 2D Image | (4R,5S,6R)-4-Amino-5,6-dihydroxy-2-oxo-7-(phosphonooxy)heptanoic acid | C7H14NO9P

(4R,5S,6R)-4-Amino-5,6-dihydroxy-2-oxo-7-(phosphonooxy)heptanoic acid

  • Molecular FormulaC7H14NO9P
  • Average mass287.161 Da
  • Monoisotopic mass287.040619 Da
  • ChemSpider ID29334486

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,5S,6R)-4-Amino-5,6-dihydroxy-2-oxo-7-(phosphonooxy)heptanoic acid [ACD/IUPAC Name]
(4R,5S,6R)-4-Amino-5,6-dihydroxy-2-oxo-7-(phosphonooxy)heptansäure [German] [ACD/IUPAC Name]
Acide (4R,5S,6R)-4-amino-5,6-dihydroxy-2-oxo-7-(phosphonooxy)heptanoïque [French] [ACD/IUPAC Name]
D-arabino-2-Heptulosonic acid, 4-amino-3,4-dideoxy-, 7-(dihydrogen phosphate) [ACD/Index Name]
4-amino-3,4-dideoxy-D-arabino-heptulosonic acid 7-phosphate

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

Density: 1.8±0.1 g/cm3
Boiling Point: 649.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±6.0 kJ/mol
Flash Point: 346.5±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 54.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.32
ACD/LogD (pH 5.5): -7.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 106.2±3.0 dyne/cm
Molar Volume: 161.2±3.0 cm3

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