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Search term: LEBBDRXHHNYZIA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-O-{[(4Z)-1,3-Dihydroxy-4-octadecen-2-yl]carbamoyl}-beta-D-galactopyranose | C25H47NO9

1-O-{[(4Z)-1,3-Dihydroxy-4-octadecen-2-yl]carbamoyl}-β-D-galactopyranose

  • Molecular FormulaC25H47NO9
  • Average mass505.642 Da
  • Monoisotopic mass505.325073 Da
  • ChemSpider ID23195359

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

1-O-{[(4Z)-1,3-Dihydroxy-4-octadecen-2-yl]carbamoyl}-β-D-galactopyranose [German] [ACD/IUPAC Name]
1-O-{[(4Z)-1,3-Dihydroxy-4-octadecen-2-yl]carbamoyl}-β-D-galactopyranose [ACD/IUPAC Name]
1-O-{[(4Z)-1,3-Dihydroxy-4-octadécén-2-yl]carbamoyl}-β-D-galactopyranose [French] [ACD/IUPAC Name]
1-O-{[(4Z)-1,3-dihydroxyoctadec-4-en-2-yl]carbamoyl}-β-D-galactopyranose
β-D-Galactopyranose, 1-[[(3Z)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]carbamate] [ACD/Index Name]
((Z)-2-Hydroxy-1-hydroxymethyl-heptadec-3-enyl)-carbamic acid (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 731.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.9±6.0 kJ/mol
Flash Point: 396.3±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1627.49
ACD/KOC (pH 5.5): 6924.71
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1625.98
ACD/KOC (pH 7.4): 6918.29
Polar Surface Area: 169 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 417.5±5.0 cm3

Click to predict properties on the Chemicalize site


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