Found 7 results

Search term: MF = 'C_{44}H_{85}NO_{9}'
ChemSpider 2D Image | N-(2-hydroxyhenicosanoyl)-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine | C44H85NO9

N-(2-hydroxyhenicosanoyl)-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine

  • Molecular FormulaC44H85NO9
  • Average mass772.147 Da
  • Monoisotopic mass771.622437 Da
  • ChemSpider ID28533455

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

Heneicosanamide, N-[(1S,2R,3E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-14-methyl-3-pentadecen-1-yl]-2-hydroxy- [ACD/Index Name]
N-(2-hydroxyhenicosanoyl)-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine
N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-15-methyl-4-hexadecen-2-yl]-2-hydroxyhenicosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-15-methyl-4-hexadecen-2-yl]-2-hydroxyhenicosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-(β-D-Glucopyranosyloxy)-3-hydroxy-15-méthyl-4-hexadécén-2-yl]-2-hydroxyhénicosanamide [French] [ACD/IUPAC Name]
1-O-β-D-glucosyl-N-(2-hydroxyheneicosanoyl)-15-methylhexadecasphing-4-enine
1-O-β-D-glucosyl-N-(2-hydroxyhenicosanoyl)-15-methylhexadecasphing-4-enine
GlcCer(d16:1(4E)(15Me)/21:0(2OH)
N-(2-hydroxyheneicosanoyl)-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine
N-(2-hydroxyheneicosanoyl)-1-β-glucosyl-15-methyl-4E-hexadecasphingenine
  • Miscellaneous

    • Chemical Class:

      An <element>N</element>-acyl-1-<element>O</element>-<stereo>beta</stereo>-<stereo>D</stereo>-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 21 carbons and 0 double bonds and is 2 -hydroxylated. ChEBI CHEBI:71106
      An N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 21 carbons and 0 double bonds and is 2; -hydroxylated. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71106
      An N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 21 carbons and 0 double bonds and is 2-hydroxylated. ChEBI CHEBI:71106

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

Density: 1.1±0.1 g/cm3
Boiling Point: 891.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.2±6.0 kJ/mol
Flash Point: 492.9±34.3 °C
Index of Refraction: 1.520
Molar Refractivity: 219.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 4
ACD/LogP: 12.65
ACD/LogD (pH 5.5): 10.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 169 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 723.3±5.0 cm3

Click to predict properties on the Chemicalize site


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