ChemSpider 2D Image | (2R)-N-[(2S,3S,4R,8Z)-1-(beta-D-Glucopyranosyloxy)-3,4-dihydroxy-8-octadecen-2-yl]-2-hydroxyhexacosanamide | C50H97NO10

(2R)-N-[(2S,3S,4R,8Z)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-8-octadecen-2-yl]-2-hydroxyhexacosanamide

  • Molecular FormulaC50H97NO10
  • Average mass872.306 Da
  • Monoisotopic mass871.711243 Da
  • ChemSpider ID113381809

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R)-N-[(2S,3S,4R,8Z)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-8-octadecen-2-yl]-2-hydroxyhexacosanamid [German] [ACD/IUPAC Name]
(2R)-N-[(2S,3S,4R,8Z)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-8-octadecen-2-yl]-2-hydroxyhexacosanamide [ACD/IUPAC Name]
(2R)-N-[(2S,3S,4R,8Z)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-8-octadécén-2-yl]-2-hydroxyhexacosanamide [French] [ACD/IUPAC Name]
Hexacosanamide, N-[(1S,2S,3R,7Z)-1-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydroxy-7-heptadecen-1-yl]-2-hydroxy-, (2R)- [ACD/Index Name]
1-O-glucopyranosyl-2-N-2'-hydroxyhexacosanoyl-4-hydroxy-8-sphingenine
GlcCer(t18:1(8Z)/26:0(2OH[R]))
N-(2R-hydroxyhexacosanoyl)-1-β-glucosyl-4R-hydroxy-8Z-octadecasphingenine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 963.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.1±6.0 kJ/mol
Flash Point: 536.5±34.3 °C
Index of Refraction: 1.523
Molar Refractivity: 249.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 14.99
ACD/LogD (pH 5.5): 13.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 189 Å2
Polarizability: 98.8±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 816.3±5.0 cm3

Click to predict properties on the Chemicalize site


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