ChemSpider 2D Image | (2S,15Z)-N-{(2S,3S,4R)-1-(beta-D-Glucopyranosyloxy)-12-[(1S,2R)-2-hexylcyclopropyl]-3,4-dihydroxy-2-dodecanyl}-2-hydroxy-15-docosenamide | C49H93NO10

(2S,15Z)-N-{(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-12-[(1S,2R)-2-hexylcyclopropyl]-3,4-dihydroxy-2-dodecanyl}-2-hydroxy-15-docosenamide

  • Molecular FormulaC49H93NO10
  • Average mass856.263 Da
  • Monoisotopic mass855.679932 Da
  • ChemSpider ID44210721

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S,15Z)-N-{(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-12-[(1S,2R)-2-hexylcyclopropyl]-3,4-dihydroxy-2-dodecanyl}-2-hydroxy-15-docosenamid [German] [ACD/IUPAC Name]
(2S,15Z)-N-{(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-12-[(1S,2R)-2-hexylcyclopropyl]-3,4-dihydroxy-2-dodecanyl}-2-hydroxy-15-docosenamide [ACD/IUPAC Name]
(2S,15Z)-N-{(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-12-[(1S,2R)-2-hexylcyclopropyl]-3,4-dihydroxy-2-dodécanyl}-2-hydroxy-15-docosénamide [French] [ACD/IUPAC Name]
15-Docosenamide, N-[(1S,2S,3R)-1-[(β-D-glucopyranosyloxy)methyl]-11-[(1S,2R)-2-hexylcyclopropyl]-2,3-dihydroxyundecyl]-2-hydroxy-, (2S,15Z)- [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: 959.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.5±6.0 kJ/mol
Flash Point: 534.3±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 242.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 4
ACD/LogP: 13.66
ACD/LogD (pH 5.5): 10.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 189 Å2
Polarizability: 96.1±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 782.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement