ChemSpider 2D Image | 2-Deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-erythro-hexopyranose | C34H66NO12P

2-Deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-erythro-hexopyranose

  • Molecular FormulaC34H66NO12P
  • Average mass711.861 Da
  • Monoisotopic mass711.432251 Da
  • ChemSpider ID2497505
  • defined stereocentres - 5 of 7 defined stereocentres


More details:






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

2-Deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-erythro-hexopyranose [ACD/IUPAC Name]
2-Desoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-erythro-hexopyranose [German] [ACD/IUPAC Name]
2-Désoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-érythro-hexopyranose [French] [ACD/IUPAC Name]
α-D-erythro-Hexopyranose, 2-deoxy-3-O-[(3R)-3-hydroxy-1-oxotetradecyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 1-(dihydrogen phosphate) [ACD/Index Name]
2,3-bis-(3R-hydroxy-tetradecanoyl)-αD-glucosamine-1-phosphate
Lipid X

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

LMSL01020001 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.523
Molar Refractivity: 182.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 4
ACD/LogP: 7.21
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 18.17
ACD/KOC (pH 5.5): 29.75
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 3.58
Polar Surface Area: 222 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 596.5±5.0 cm3

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