ChemSpider 2D Image | (2S,3R)-1,3-Dihydroxy-15-methyl-2-hexadecanaminium | C17H38NO2

(2S,3R)-1,3-Dihydroxy-15-methyl-2-hexadecanaminium

  • Molecular FormulaC17H38NO2
  • Average mass288.489 Da
  • Monoisotopic mass288.289703 Da
  • ChemSpider ID28533322

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-1,3-Dihydroxy-15-methyl-2-hexadecanaminium [German] [ACD/IUPAC Name]
(2S,3R)-1,3-Dihydroxy-15-methyl-2-hexadecanaminium [ACD/IUPAC Name]
(2S,3R)-1,3-Dihydroxy-15-méthyl-2-hexadécanaminium [French] [ACD/IUPAC Name]
1,3-Hexadecanediol, 2-amino-15-methyl-, conjugate acid, (2S,3R)- [ACD/Index Name]
(2S,3R)-1,3-dihydroxy-15-methylhexadecan-2-aminium
15-methylhexadecadihydrosphingosine cation
15-methylhexadecadihydrosphingosine(1+)
15-methylhexadecasphinganine
15-methylhexadecasphinganine cation
15-methylhexadecasphinganine(1+)
More...
  • Miscellaneous

    • Chemical Class:

      A cationic sphingoid that is the conjugate acid of 15-methylhexadecasphinganine, obtained by protonation of the amino group; major species at pH 7.3. ChEBI CHEBI:70829

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

Density:
Boiling Point: 428.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±6.0 kJ/mol
Flash Point: 212.9±23.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 5.09
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 4.53
ACD/KOC (pH 7.4): 20.19
Polar Surface Area: 68 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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