Found 7 results

Search term: MF = 'C_{42}H_{83}NO_{9}'
ChemSpider 2D Image | N-nonadecanoyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine | C42H83NO9

N-nonadecanoyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine

  • Molecular FormulaC42H83NO9
  • Average mass746.110 Da
  • Monoisotopic mass745.606812 Da
  • ChemSpider ID28533448

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-15-methyl-2-hexadecanyl]nonadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-15-methyl-2-hexadecanyl]nonadecanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-15-méthyl-2-hexadécanyl]nonadécanamide [French] [ACD/IUPAC Name]
N-nonadecanoyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine
Nonadecanamide, N-[(1S,2S,3R)-1-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydroxy-14-methylpentadecyl]- [ACD/Index Name]
1-O-β-D-glucosyl-4-hydroxy-15-methyl-N-nonadecanoylhexadecasphinganine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 879.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.3±6.0 kJ/mol
Flash Point: 485.9±34.3 °C
Index of Refraction: 1.516
Molar Refractivity: 210.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 4
ACD/LogP: 11.52
ACD/LogD (pH 5.5): 9.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6375390.50
ACD/LogD (pH 7.4): 9.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6375341.50
Polar Surface Area: 169 Å2
Polarizability: 83.5±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 698.0±5.0 cm3

Click to predict properties on the Chemicalize site


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