ChemSpider 2D Image | Methyl (11S)-11-{[6-deoxy-alpha-L-mannopyranosyl-(1->4)-6-deoxy-2,3-O-isopropylidene-alpha-L-mannopyranosyl-(1->4)-6-deoxy-2,3-O-isopropylidene-alpha-L-mannopyranosyl]oxy}hexadecanoate | C41H72O15

Methyl (11S)-11-{[6-deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-2,3-O-isopropylidene-α-L-mannopyranosyl-(1->4)-6-deoxy-2,3-O-isopropylidene-α-L-mannopyranosyl]oxy}hexadecanoate

  • Molecular FormulaC41H72O15
  • Average mass805.001 Da
  • Monoisotopic mass804.487122 Da
  • ChemSpider ID8994457

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(11S)-11-{[6-Désoxy-α-L-mannopyranosyl-(1->4)-6-désoxy-2,3-O-isopropylidène-α-L-mannopyranosyl-(1->4)-6-désoxy-2,3-O-isopropylidène-α-L-mannopyranosyl]oxy}hexadécanoate de méthyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 11-[[O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-6-deoxy-2,3-O-(1-methylethylidene)-α-L-mannopyranosyl-(1->4)-6-deoxy-2,3-O-(1-methylethylidene)-α-L-mannopyranosyl]oxy]-, meth yl ester, (11S)- [ACD/Index Name]
Methyl (11S)-11-{[6-deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-2,3-O-isopropylidene-α-L-mannopyranosyl-(1->4)-6-deoxy-2,3-O-isopropylidene-α-L-mannopyranosyl]oxy}hexadecanoate [ACD/IUPAC Name]
Methyl-(11S)-11-{[6-desoxy-α-L-mannopyranosyl-(1->4)-6-desoxy-2,3-O-isopropyliden-α-L-mannopyranosyl-(1->4)-6-desoxy-2,3-O-isopropyliden-α-L-mannopyranosyl]oxy}hexadecanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 798.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.2±6.0 kJ/mol
Flash Point: 226.2±26.4 °C
Index of Refraction: 1.529
Molar Refractivity: 205.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 11.08
ACD/LogD (pH 5.5): 8.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 860897.25
ACD/LogD (pH 7.4): 8.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 860892.50
Polar Surface Area: 179 Å2
Polarizability: 81.4±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 665.9±5.0 cm3

Click to predict properties on the Chemicalize site


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