ChemSpider 2D Image | (2S,3R)-2-Ammonio-3-hydroxy(16,16,17,17,18,18,18-~2~H_7_)octadecyl hydrogen phosphate | C18H33D7NO5P

(2S,3R)-2-Ammonio-3-hydroxy(16,16,17,17,18,18,18-2H7)octadecyl hydrogen phosphate

  • Molecular FormulaC18H33D7NO5P
  • Average mass388.531 Da
  • Monoisotopic mass388.308350 Da
  • ChemSpider ID98645495

  • 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,3R)-2-Ammonio-3-hydroxy(16,16,17,17,18,18,18-2H7)octadecyl hydrogen phosphate [ACD/IUPAC Name]
(2S,3R)-2-Ammonio-3-hydroxy(16,16,17,17,18,18,18-2H7)octadecylhydrogenphosphat [German] [ACD/IUPAC Name]
1,3-Octadecane-16,16,17,17,18,18,18-d7-diol, 2-amino-, 1-(dihydrogen phosphate), (2S,3R)- [ACD/Index Name]
Hydrogénophosphate de (2S,3R)-2-ammonio-3-hydroxy(16,16,17,17,18,18,18-2H7)octadécyle [French] [ACD/IUPAC Name]
2315262-23-6 [RN]
Sphinganine-1-Phosphate-d7

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: 127 Å2
Polarizability:
Surface Tension:
Molar Volume:

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