ChemSpider 2D Image | 2-Deoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphonohexopyranose | C34H66NO12P

2-Deoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphonohexopyranose

  • Molecular FormulaC34H66NO12P
  • Average mass711.861 Da
  • Monoisotopic mass711.432251 Da
  • ChemSpider ID570812

More details:






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

2-Deoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphonohexopyranose [ACD/IUPAC Name]
2-Desoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphonohexopyranose [German] [ACD/IUPAC Name]
2-Désoxy-3-O-(3-hydroxytetradecanoyl)-2-[(3-hydroxytetradecanoyl)amino]-4-O-phosphonohexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 2-deoxy-3-O-(3-hydroxy-1-oxotetradecyl)-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 4-(dihydrogen phosphate) [ACD/Index Name]
3-Hydroxyacyl group of bacterial toxin
3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN

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: 6.59
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 9.49
ACD/KOC (pH 5.5): 19.46
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 2.26
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

Click to predict properties on the Chemicalize site






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