ChemSpider 2D Image | halisphingosine A | C18H37NO3

halisphingosine A

  • Molecular FormulaC18H37NO3
  • Average mass315.491 Da
  • Monoisotopic mass315.277344 Da
  • ChemSpider ID27023159

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2R,3R,6R,7Z)-2-Amino-7-octadecen-1,3,6-triol [German] [ACD/IUPAC Name]
(2R,3R,6R,7Z)-2-Amino-7-octadecene-1,3,6-triol [ACD/IUPAC Name]
(2R,3R,6R,7Z)-2-Amino-7-octadécène-1,3,6-triol [French] [ACD/IUPAC Name]
2R-aminooctade-7Z-ene-1,3R,6R-triol
7-Octadecene-1,3,6-triol, 2-amino-, (2R,3R,6R,7Z)- [ACD/Index Name]
halisphingosine A
(2R,3R,6R,7Z)-2-aminooctadec-7-en-1,3,6-triol
(2R,3R,6R,7Z)-2-aminooctadec-7-ene-1,3,6-triol
  • Miscellaneous

    • Chemical Class:

      A sphingoid that is octadec-7-ene substituted by an amino group at position 2 and hydroxy groups at positions 1, 3 and 6 (the 2<stereo>R</stereo>,3<stereo>R</stereo>,6<stereo>R</stereo>,7<stereo>Z</st ereo> stereoisomer). It is isolated from the marine sponge <ital>Haliclona</ital>. ChEBI CHEBI:66519
      A sphingoid that is octadec-7-ene substituted by an amino group at position 2 and hydroxy groups at positions 1, 3 and 6 (the 2R,3R,6R,7Z stereoisomer). It is isolated from the marine sponge Haliclona . ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66519, CHEBI:66519

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

Density: 1.0±0.1 g/cm3
Boiling Point: 493.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.6±6.0 kJ/mol
Flash Point: 252.1±28.7 °C
Index of Refraction: 1.503
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.58
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 2.13
ACD/KOC (pH 7.4): 12.46
Polar Surface Area: 87 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 316.6±3.0 cm3

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