ChemSpider 2D Image | (2S)-3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-(palmitoyloxy)propyl 6-deoxy-2,3-di-O-palmitoyl-6-sulfo-alpha-D-glucopyranoside | C75H138O14S

(2S)-3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-(palmitoyloxy)propyl 6-deoxy-2,3-di-O-palmitoyl-6-sulfo-α-D-glucopyranoside

  • Molecular FormulaC75H138O14S
  • Average mass1295.955 Da
  • Monoisotopic mass1294.980713 Da
  • ChemSpider ID8805606

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-(palmitoyloxy)propyl 6-deoxy-2,3-di-O-palmitoyl-6-sulfo-α-D-glucopyranoside [ACD/IUPAC Name]
(2S)-3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-(palmitoyloxy)propyl-6-desoxy-2,3-di-O-palmitoyl-6-sulfo-α-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2,3-di-O-palmitoyl-6-sulfo-α-D-glucopyranoside de (2S)-3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (2S)-3-[[6-deoxy-2,3-bis-O-(1-oxohexadecyl)-6-sulfo-α-D-glucopyranosyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.506
Molar Refractivity: 369.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 70
#Rule of 5 Violations: 3
ACD/LogP: 28.07
ACD/LogD (pH 5.5): 21.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 207 Å2
Polarizability: 146.6±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 1244.6±5.0 cm3

Click to predict properties on the Chemicalize site


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