ChemSpider 2D Image | 2-Deoxy-6-O-{2-deoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphonohexopyranosyl}-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonohexopyranose | C68H130N2O23P2

2-Deoxy-6-O-{2-deoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphonohexopyranosyl}-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonohexopyranose

  • Molecular FormulaC68H130N2O23P2
  • Average mass1405.707 Da
  • Monoisotopic mass1404.854004 Da
  • ChemSpider ID839

More details:

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

2-Deoxy-6-O-{2-deoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphonohexopyranosyl}-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonohexopyranose [ACD/IUPAC Name]
2-Desoxy-6-O-{2-desoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphonohexopyranosyl}-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonohexopyrano se [German] [ACD/IUPAC Name]
2-Désoxy-6-O-{2-désoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphonohexopyranosyl}-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-1-O-phosphonohexopyrano se [French] [ACD/IUPAC Name]
Hexopyranose, 2-deoxy-6-O-[2-deoxy-3-O-(3-hydroxy-1-oxotetradecyl)-2-[(3-hydroxy-1-oxotetradecyl)amino]-4-O-phosphonohexopyranosyl]-3-O-(3-hydroxy-1-oxotetradecyl)-2-[(3-hydroxy-1-oxotetradecyl)amino] -, 1-(dihydrogen phosphate) [ACD/Index Name]
Lipid IV(A)
LIPID-IV-A

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.535
Molar Refractivity: 361.3±0.4 cm3
#H bond acceptors: 25
#H bond donors: 12
#Freely Rotating Bonds: 62
#Rule of 5 Violations: 4
ACD/LogP: 14.36
ACD/LogD (pH 5.5): 8.58
ACD/BCF (pH 5.5): 149856.92
ACD/KOC (pH 5.5): 8378.26
ACD/LogD (pH 7.4): 6.91
ACD/BCF (pH 7.4): 3217.79
ACD/KOC (pH 7.4): 179.90
Polar Surface Area: 413 Å2
Polarizability: 143.2±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 1160.9±5.0 cm3

Click to predict properties on the Chemicalize site


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