ChemSpider 2D Image | Methyl 12-[(3-O-acetyl-2,4-di-O-benzyl-6-deoxy-alpha-D-mannopyranosyl)oxy]dodecanoate | C35H50O8

Methyl 12-[(3-O-acetyl-2,4-di-O-benzyl-6-deoxy-α-D-mannopyranosyl)oxy]dodecanoate

  • Molecular FormulaC35H50O8
  • Average mass598.767 Da
  • Monoisotopic mass598.350586 Da
  • ChemSpider ID9321518

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

12-[(3-O-Acétyl-2,4-di-O-benzyl-6-désoxy-α-D-mannopyranosyl)oxy]dodécanoate de méthyle [French] [ACD/IUPAC Name]
Dodecanoic acid, 12-[[3-O-acetyl-6-deoxy-2,4-bis-O-(phenylmethyl)-α-D-mannopyranosyl]oxy]-, methyl ester [ACD/Index Name]
Methyl 12-[(3-O-acetyl-2,4-di-O-benzyl-6-deoxy-α-D-mannopyranosyl)oxy]dodecanoate [ACD/IUPAC Name]
Methyl-12-[(3-O-acetyl-2,4-di-O-benzyl-6-desoxy-α-D-mannopyranosyl)oxy]dodecanoat [German] [ACD/IUPAC 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: 648.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 264.5±31.5 °C
Index of Refraction: 1.532
Molar Refractivity: 166.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 9.46
ACD/LogD (pH 5.5): 7.99
ACD/BCF (pH 5.5): 689756.81
ACD/KOC (pH 5.5): 525906.63
ACD/LogD (pH 7.4): 7.99
ACD/BCF (pH 7.4): 689756.81
ACD/KOC (pH 7.4): 525906.63
Polar Surface Area: 90 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 537.0±5.0 cm3

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