ChemSpider 2D Image | (2R,19Z)-N-[(2S,3S,4R)-1-(beta-D-Glucopyranosyloxy)-3,4-dihydroxy-13-methyl-2-tetradecanyl]-2-hydroxy-19-pentacosenamide | C46H89NO10

(2R,19Z)-N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-13-methyl-2-tetradecanyl]-2-hydroxy-19-pentacosenamide

  • Molecular FormulaC46H89NO10
  • Average mass816.200 Da
  • Monoisotopic mass815.648621 Da
  • ChemSpider ID44210951

  • 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,19Z)-N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-13-methyl-2-tetradecanyl]-2-hydroxy-19-pentacosenamid [German] [ACD/IUPAC Name]
(2R,19Z)-N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-13-methyl-2-tetradecanyl]-2-hydroxy-19-pentacosenamide [ACD/IUPAC Name]
(2R,19Z)-N-[(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-3,4-dihydroxy-13-méthyl-2-tétradécanyl]-2-hydroxy-19-pentacosénamide [French] [ACD/IUPAC Name]
19-Pentacosenamide, N-[(1S,2S,3R)-1-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydroxy-12-methyltridecyl]-2-hydroxy-, (2R,19Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 933.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 154.1±6.0 kJ/mol
Flash Point: 518.3±34.3 °C
Index of Refraction: 1.525
Molar Refractivity: 230.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 12.62
ACD/LogD (pH 5.5): 9.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3235231.25
ACD/LogD (pH 7.4): 9.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3235203.00
Polar Surface Area: 189 Å2
Polarizability: 91.5±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 753.0±5.0 cm3

Click to predict properties on the Chemicalize site


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