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Search term: YHEDRJPUIRMZMP-ZWKOTPCHSA-M (Found by InChIKey (full match))
ChemSpider 2D Image | (2S,3R)-2-Ammonio-3-hydroxyoctadecyl phosphate | C18H39NO5P

(2S,3R)-2-Ammonio-3-hydroxyoctadecyl phosphate

  • Molecular FormulaC18H39NO5P
  • Average mass380.480 Da
  • Monoisotopic mass380.257141 Da
  • ChemSpider ID26330975

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-Ammonio-3-hydroxyoctadecyl phosphate [ACD/IUPAC Name]
(2S,3R)-2-Ammonio-3-hydroxyoctadecylphosphat [German] [ACD/IUPAC Name]
1,3-Octadecanediol, 2-amino-, 1-(dihydrogen phosphate), inner salt, ion(1-), (2S,3R)- [ACD/Index Name]
Phosphate de (2S,3R)-2-ammonio-3-hydroxyoctadécyle [French] [ACD/IUPAC Name]
(2S,3R)-2-azaniumyl-3-hydroxyoctadecyl phosphate
(2S,3R)-3-hydroxy-1-(phosphonatooxy)octadecan-2-aminium
DHS-1-P
Dihydrosphingosine 1-phosphate
octadecasphinganine 1-phosphate
sphinganine 1-phosphate
More...
  • Miscellaneous

    • Chemical Class:

      The anion resulting from the addition of a proton to the amino group and the removal of the two acidic protons from the phosphate group of sphinganine 1-phosphate. ChEBI CHEBI:57939

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

Density:
Boiling Point: 548.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.1±6.0 kJ/mol
Flash Point: 285.3±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 2.84
ACD/KOC (pH 5.5): 13.07
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.24
Polar Surface Area: 130 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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