ChemSpider 2D Image | (2R)-2-Hydroxy-3-{[3-O-(alpha-D-mannopyranosyl)-6-O-(16-methylheptadecanoyl)-alpha-D-mannopyranosyl]oxy}propyl 16-methylheptadecanoate | C51H96O15

(2R)-2-Hydroxy-3-{[3-O-(α-D-mannopyranosyl)-6-O-(16-methylheptadecanoyl)-α-D-mannopyranosyl]oxy}propyl 16-methylheptadecanoate

  • Molecular FormulaC51H96O15
  • Average mass949.299 Da
  • Monoisotopic mass948.674927 Da
  • ChemSpider ID9978636

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2R)-2-Hydroxy-3-{[3-O-(α-D-mannopyranosyl)-6-O-(16-methylheptadecanoyl)-α-D-mannopyranosyl]oxy}propyl 16-methylheptadecanoate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-{[3-O-(α-D-mannopyranosyl)-6-O-(16-methylheptadecanoyl)-α-D-mannopyranosyl]oxy}propyl-16-methylheptadecanoat [German] [ACD/IUPAC Name]
16-Méthylheptadécanoate de (2R)-2-hydroxy-3-{[3-O-(α-D-mannopyranosyl)-6-O-(16-méthylheptadecanoyl)-α-D-mannopyranosyl]oxy}propyle [French] [ACD/IUPAC Name]
Heptadecanoic acid, 16-methyl-, (2R)-2-hydroxy-3-[[3-O-α-D-mannopyranosyl-6-O-(16-methyl-1-oxoheptadecyl)-α-D-mannopyranosyl]oxy]propyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 962.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.9±6.0 kJ/mol
Flash Point: 258.9±27.8 °C
Index of Refraction: 1.523
Molar Refractivity: 255.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 4
ACD/LogP: 13.85
ACD/LogD (pH 5.5): 10.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.37
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 231 Å2
Polarizability: 101.2±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 835.2±5.0 cm3

Click to predict properties on the Chemicalize site


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