ChemSpider 2D Image | 2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha,alpha-trehalose | C56H104O16S

2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α,α-trehalose

  • Molecular FormulaC56H104O16S
  • Average mass1065.480 Da
  • Monoisotopic mass1064.704468 Da
  • ChemSpider ID26329065

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

2-O-palmitoyl-2'-O-sulfo-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α,α-trehalose
2-O-Palmitoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyl-2-tetracosenoyl]-α-D-glucopyranosyl 2-O-sulfo-α-D-glucopyranoside [ACD/IUPAC Name]
2-O-Palmitoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyl-2-tetracosenoyl]-α-D-glucopyranosyl-2-O-sulfo-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-Sulfo-α-D-glucopyranoside de 2-O-palmitoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tétraméthyl-2-tetracosenoyl]-α-D-glucopyranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 2-O-(1-oxohexadecyl)-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyl-1-oxo-2-tetracosen-1-yl]-α-D-glucopyranosyl, 2-(hydrogen sulfate) [ACD/Index Name]
2-O-palmitoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-α-D-glucopyranosyl 2-O-sulfo-α-D-glucopyranoside
  • Miscellaneous

    • Chemical Class:

      A sulfoglycolipid in which <stereo>alpha</stereo>,<stereo>alpha</stereo>-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with (2<stereo> E</stereo>,4<stereo>S</stereo>,6<stereo>S</stereo>,8<stereo>S</stereo>)-2,4,6,8-tetramethyltetracos-2-enoic acid. ChEBI CHEBI:62133
      A sulfoglycolipid in which alpha,alpha-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with (2; E,4S,6S,8S)-2,4,6,8-tetramethyltetracos- 2-enoic acid. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62133
      A sulfoglycolipid in which alpha,alpha-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with (2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2- enoic acid. ChEBI CHEBI:62133

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: 1.526
Molar Refractivity: 285.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 4
ACD/LogP: 20.79
ACD/LogD (pH 5.5): 11.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1500681.75
ACD/LogD (pH 7.4): 11.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1500650.50
Polar Surface Area: 253 Å2
Polarizability: 113.1±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 929.4±5.0 cm3

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