ChemSpider 2D Image | (1S)-1-[(2R,3R,4E)-2-Amino-1,3-dihydroxy-4-octadecen-1-yl]-1,5-anhydro-D-galactitol | C24H47NO7

(1S)-1-[(2R,3R,4E)-2-Amino-1,3-dihydroxy-4-octadecen-1-yl]-1,5-anhydro-D-galactitol

  • Molecular FormulaC24H47NO7
  • Average mass461.633 Da
  • Monoisotopic mass461.335266 Da
  • ChemSpider ID67167134

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S)-1-[(2R,3R,4E)-2-Amino-1,3-dihydroxy-4-octadecen-1-yl]-1,5-anhydro-D-galactitol [German] [ACD/IUPAC Name]
(1S)-1-[(2R,3R,4E)-2-Amino-1,3-dihydroxy-4-octadecen-1-yl]-1,5-anhydro-D-galactitol [ACD/IUPAC Name]
(1S)-1-[(2R,3R,4E)-2-Amino-1,3-dihydroxy-4-octadécén-1-yl]-1,5-anhydro-D-galactitol [French] [ACD/IUPAC Name]
D-Galactitol, 1-C-[(2R,3R,4E)-2-amino-1,3-dihydroxy-4-octadecen-1-yl]-1,5-anhydro-, (1S)- [ACD/Index Name]
??-galactosylsphingosine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.5±6.0 kJ/mol
Flash Point: 366.3±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 8
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 2.80
ACD/KOC (pH 5.5): 11.74
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 108.32
ACD/KOC (pH 7.4): 453.39
Polar Surface Area: 157 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 399.8±3.0 cm3

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