ChemSpider 2D Image | (2S)-2,3-Bis(palmitoyloxy)propyl 6-deoxy-6-sulfo-beta-D-glucopyranoside | C41H78O12S

(2S)-2,3-Bis(palmitoyloxy)propyl 6-deoxy-6-sulfo-β-D-glucopyranoside

  • Molecular FormulaC41H78O12S
  • Average mass795.116 Da
  • Monoisotopic mass794.521423 Da
  • ChemSpider ID26328979

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2,3-Bis(palmitoyloxy)propyl 6-deoxy-6-sulfo-β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-2,3-Bis(palmitoyloxy)propyl-6-desoxy-6-sulfo-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-6-sulfo-β-D-glucopyranoside de (2S)-2,3-bis(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, (1S)-2-[(6-deoxy-6-sulfo-β-D-glucopyranosyl)oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-α-D-GLUCOPYRANOSYL]-SN-GLYCEROL
SQD

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.513
Molar Refractivity: 211.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 13.15
ACD/LogD (pH 5.5): 7.48
ACD/BCF (pH 5.5): 42720.21
ACD/KOC (pH 5.5): 7563.82
ACD/LogD (pH 7.4): 7.42
ACD/BCF (pH 7.4): 37206.81
ACD/KOC (pH 7.4): 6587.65
Polar Surface Area: 195 Å2
Polarizability: 84.0±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 705.5±5.0 cm3

Click to predict properties on the Chemicalize site


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