ChemSpider 2D Image | Methyl (11S)-11-{[6-deoxy-2-O-(2,3-di-O-acetyl-4,6-O-benzylidene-beta-D-glucopyranosyl)-3,4-O-isopropylidene-beta-D-galactopyranosyl]oxy}hexadecanoate | C43H66O14

Methyl (11S)-11-{[6-deoxy-2-O-(2,3-di-O-acetyl-4,6-O-benzylidene-β-D-glucopyranosyl)-3,4-O-isopropylidene-β-D-galactopyranosyl]oxy}hexadecanoate

  • Molecular FormulaC43H66O14
  • Average mass806.976 Da
  • Monoisotopic mass806.445251 Da
  • ChemSpider ID8946996

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(11S)-11-{[6-Désoxy-2-O-(2,3-di-O-acétyl-4,6-O-benzylidène-β-D-glucopyranosyl)-3,4-O-isopropylidène-β-D-galactopyranosyl]oxy}hexadécanoate de méthyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 11-[[6-deoxy-2-O-[2,3-di-O-acetyl-4,6-O-(phenylmethylene)-β-D-glucopyranosyl]-3,4-O-(1-methylethylidene)-β-D-galactopyranosyl]oxy]-, methyl ester, (11S)- [ACD/Index Name]
Methyl (11S)-11-{[6-deoxy-2-O-(2,3-di-O-acetyl-4,6-O-benzylidene-β-D-glucopyranosyl)-3,4-O-isopropylidene-β-D-galactopyranosyl]oxy}hexadecanoate [ACD/IUPAC Name]
Methyl-(11S)-11-{[6-desoxy-2-O-(2,3-di-O-acetyl-4,6-O-benzyliden-β-D-glucopyranosyl)-3,4-O-isopropyliden-β-D-galactopyranosyl]oxy}hexadecanoat [German] [ACD/IUPAC Name]
180782-75-6 [RN]
methyl (11S)-11-{[(3aS,4R,6R,7R,7aS)-7-{[(2R,4aR,6S,7R,8S,8aR)-7,8-bis(acetyloxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-2,2,4-trimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy}hexadecanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 781.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 306.7±32.9 °C
Index of Refraction: 1.530
Molar Refractivity: 209.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 12.23
ACD/LogD (pH 5.5): 10.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9750739.00
ACD/LogD (pH 7.4): 10.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9750739.00
Polar Surface Area: 153 Å2
Polarizability: 82.9±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 677.6±5.0 cm3

Click to predict properties on the Chemicalize site


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