ChemSpider 2D Image | (2R)-N-[(2S,3R,4E,8E,10E)-1-(Hexopyranosyloxy)-3-hydroxy-9-methyl-4,8,10-octadecatrien-2-yl]-2-hydroxyhexacosanamide | C51H95NO9

(2R)-N-[(2S,3R,4E,8E,10E)-1-(Hexopyranosyloxy)-3-hydroxy-9-methyl-4,8,10-octadecatrien-2-yl]-2-hydroxyhexacosanamide

  • Molecular FormulaC51H95NO9
  • Average mass866.301 Da
  • Monoisotopic mass865.700684 Da
  • ChemSpider ID10480675

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(2R)-N-[(2S,3R,4E,8E,10E)-1-(Hexopyranosyloxy)-3-hydroxy-9-methyl-4,8,10-octadecatrien-2-yl]-2-hydroxyhexacosanamid [German] [ACD/IUPAC Name]
(2R)-N-[(2S,3R,4E,8E,10E)-1-(Hexopyranosyloxy)-3-hydroxy-9-methyl-4,8,10-octadecatrien-2-yl]-2-hydroxyhexacosanamide [ACD/IUPAC Name]
(2R)-N-[(2S,3R,4E,8E,10E)-1-(Hexopyranosyloxy)-3-hydroxy-9-méthyl-4,8,10-octadécatrién-2-yl]-2-hydroxyhexacosanamide [French] [ACD/IUPAC Name]
Hexacosanamide, N-[(1S,2R,3E,7E,9E)-1-[(hexopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-heptadecatrien-1-yl]-2-hydroxy-, (2R)- [ACD/Index Name]
haliclonacerebroside

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

Density: 1.1±0.1 g/cm3
Boiling Point: 952.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 157.3±6.0 kJ/mol
Flash Point: 530.0±34.3 °C
Index of Refraction: 1.526
Molar Refractivity: 252.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 4
ACD/LogP: 15.41
ACD/LogD (pH 5.5): 13.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 169 Å2
Polarizability: 99.9±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 821.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement