ChemSpider 2D Image | (2S,3S,4E)-2-Amino-3-hydroxy(3-~3~H)-4-octadecen-1-yl dihydrogen phosphate | C18H37TNO5P

(2S,3S,4E)-2-Amino-3-hydroxy(3-3H)-4-octadecen-1-yl dihydrogen phosphate

  • Molecular FormulaC18H37TNO5P
  • Average mass381.480 Da
  • Monoisotopic mass381.256989 Da
  • ChemSpider ID4593756

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3S,4E)-2-Amino-3-hydroxy(3-3H)-4-octadecen-1-yl dihydrogen phosphate [ACD/IUPAC Name]
(2S,3S,4E)-2-Amino-3-hydroxy(3-3H)-4-octadecen-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
4-Octadecene-3-t-1,3-diol, 2-amino-, 1-(dihydrogen phosphate), (2S,3S,4E)- [ACD/Index Name]
Dihydrogénophosphate de (2S,3S,4E)-2-amino-3-hydroxy(3-3H)-4-octadécén-1-yle [French] [ACD/IUPAC Name]
[3-3H] sphingosine-1-phosphate
316365-78-3 [RN]
4-octadecene-[3-3H]-1,3-diol, 2-amino-, 1-(dihydrogen phosphate), (2S,3R,4E)-
4-Octadecene-3-t-1,3-diol, 2-amino-, 1-(dihydrogen phosphate), (2S,3R,4E)- (9CI)
AC1NUZN6
SPHINGOSINE D-ERYTHRO-[3-3H]-1-PHOSPHATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 548.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 285.7±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 2.22
ACD/KOC (pH 5.5): 10.06
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.01
Polar Surface Area: 123 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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