ChemSpider 2D Image | (2S,3R,4E)-2-Amino-3-hydroxy-4-octadecen-1-yl (4xi)-6-O-sulfo-beta-L-xylo-hexopyranoside | C24H47NO10S

(2S,3R,4E)-2-Amino-3-hydroxy-4-octadecen-1-yl (4ξ)-6-O-sulfo-β-L-xylo-hexopyranoside

  • Molecular FormulaC24H47NO10S
  • Average mass541.696 Da
  • Monoisotopic mass541.292053 Da
  • ChemSpider ID35032564

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2S,3R,4E)-2-Amino-3-hydroxy-4-octadecen-1-yl (4ξ)-6-O-sulfo-β-L-xylo-hexopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-2-Amino-3-hydroxy-4-octadecen-1-yl-(4ξ)-6-O-sulfo-β-L-xylo-hexopyranosid [German] [ACD/IUPAC Name]
(4ξ)-6-O-Sulfo-β-L-xylo-hexopyranoside de (2S,3R,4E)-2-amino-3-hydroxy-4-octadécén-1-yle [French] [ACD/IUPAC Name]
β-L-xylo-Hexopyranoside, (2S,3R,4E)-2-amino-3-hydroxy-4-octadecen-1-yl, 6-(hydrogen sulfate), (4ξ)- [ACD/Index Name]
[(2S,4R,5S,6S)-6-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid
{[(2S,4R,5S,6S)-6-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid
psychosine sulfate

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

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.549
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.02
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.52
Polar Surface Area: 197 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 428.2±5.0 cm3

Click to predict properties on the Chemicalize site


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