ChemSpider 2D Image | (2S,3R,4E)-1-(beta-D-Galactopyranosyloxy)-3-hydroxy-4-octadecen-2-aminium | C24H48NO7

(2S,3R,4E)-1-(β-D-Galactopyranosyloxy)-3-hydroxy-4-octadecen-2-aminium

  • Molecular FormulaC24H48NO7
  • Average mass462.640 Da
  • Monoisotopic mass462.342529 Da
  • ChemSpider ID26330972

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3R,4E)-1-(β-D-Galactopyranosyloxy)-3-hydroxy-4-octadecen-2-aminium [German] [ACD/IUPAC Name]
(2S,3R,4E)-1-(β-D-Galactopyranosyloxy)-3-hydroxy-4-octadecen-2-aminium [ACD/IUPAC Name]
(2S,3R,4E)-1-(β-D-Galactopyranosyloxy)-3-hydroxy-4-octadécén-2-aminium [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (2S,3R,4E)-2-amino-3-hydroxy-4-octadecen-1-yl, conjugate acid [ACD/Index Name]
(2S,3R,4E)-1-(β-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-aminium
(2S,3R,4E)-3-hydroxy-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-aminium
Psychosine [Wiki]
psychosine(1+)
β-D-galactosyl-(1<->1)-sphing-4-enine
  • Miscellaneous

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

Density:
Boiling Point: 664.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±6.0 kJ/mol
Flash Point: 355.6±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 8.24
ACD/KOC (pH 5.5): 49.09
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 279.25
ACD/KOC (pH 7.4): 1662.95
Polar Surface Area: 147 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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