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

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

  • Molecular FormulaC41H78O12S
  • Average mass795.116 Da
  • Monoisotopic mass794.521423 Da
  • ChemSpider ID140119

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2,3-Bis(palmitoyloxy)propyl 6-deoxy-6-sulfo-α-D-glucopyranoside [ACD/IUPAC Name]
2,3-Bis(palmitoyloxy)propyl-6-desoxy-6-sulfo-α-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-6-sulfo-α-D-glucopyranoside de 2,3-bis(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, 1-[[(6-deoxy-6-sulfo-α-D-glucopyranosyl)oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
[(2S,3S,4S,5R,6S)-6-[2,3-BIS(HEXADECANOYLOXY)PROPOXY]-3,4,5-TRIHYDROXYOXAN-2-YL]METHANESULFONIC ACID
109430-50-4 [RN]
2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-α-D-glucopyranoside
2,3-bis(hexadecanoyloxy)propyl 6-deoxy-6-sulfo-α-D-glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL504516/
Sulfonoglycolipid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 1279617 [DBID]

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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