ChemSpider 2D Image | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid 4-phosphate | C8H15O11P

3-deoxy-α-D-manno-oct-2-ulopyranosonic acid 4-phosphate

  • Molecular FormulaC8H15O11P
  • Average mass318.172 Da
  • Monoisotopic mass318.035187 Da
  • ChemSpider ID26331641

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6R)-3-Deoxy-6-[(1R)-1,2-dihydroxyethyl]-4-O-phosphono-β-L-erythro-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(6R)-3-Desoxy-6-[(1R)-1,2-dihydroxyethyl]-4-O-phosphono-β-L-erythro-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
3-deoxy-α-D-manno-oct-2-ulopyranosonic acid 4-phosphate
Acide (6R)-3-désoxy-6-[(1R)-1,2-dihydroxyéthyl]-4-O-phosphono-β-L-érythro-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
α-D-manno-2-Octulopyranosonic acid, 3-deoxy-, 4-(dihydrogen phosphate) [ACD/Index Name]
3-deoxy-4-O-phosphono-α-D-manno-oct-2-ulopyranosonic acid
3-deoxy-4-O-phosphono-α-D-manno-oct-2-ulosonic acid
Kdo4P

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

Density: 1.9±0.1 g/cm3
Boiling Point: 784.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.1±6.0 kJ/mol
Flash Point: 428.5±35.7 °C
Index of Refraction: 1.629
Molar Refractivity: 58.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.45
ACD/LogD (pH 5.5): -8.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 124.4±5.0 dyne/cm
Molar Volume: 163.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement