ChemSpider 2D Image | (2S,16Z)-N-{(2S,3S,4R)-1-(beta-D-Glucopyranosyloxy)-12-[(1S,2R)-2-hexylcyclopropyl]-3,4-dihydroxy-2-dodecanyl}-2-hydroxy-16-tricosenamide | C50H95NO10

(2S,16Z)-N-{(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-12-[(1S,2R)-2-hexylcyclopropyl]-3,4-dihydroxy-2-dodecanyl}-2-hydroxy-16-tricosenamide

  • Molecular FormulaC50H95NO10
  • Average mass870.290 Da
  • Monoisotopic mass869.695618 Da
  • ChemSpider ID44210722

  • 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,16Z)-N-{(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-12-[(1S,2R)-2-hexylcyclopropyl]-3,4-dihydroxy-2-dodecanyl}-2-hydroxy-16-tricosenamid [German] [ACD/IUPAC Name]
(2S,16Z)-N-{(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-12-[(1S,2R)-2-hexylcyclopropyl]-3,4-dihydroxy-2-dodecanyl}-2-hydroxy-16-tricosenamide [ACD/IUPAC Name]
(2S,16Z)-N-{(2S,3S,4R)-1-(β-D-Glucopyranosyloxy)-12-[(1S,2R)-2-hexylcyclopropyl]-3,4-dihydroxy-2-dodécanyl}-2-hydroxy-16-tricosénamide [French] [ACD/IUPAC Name]
16-Tricosenamide, N-[(1S,2S,3R)-1-[(β-D-glucopyranosyloxy)methyl]-11-[(1S,2R)-2-hexylcyclopropyl]-2,3-dihydroxyundecyl]-2-hydroxy-, (2S,16Z)- [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: 966.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.6±6.0 kJ/mol
Flash Point: 538.3±34.3 °C
Index of Refraction: 1.531
Molar Refractivity: 247.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 4
ACD/LogP: 14.19
ACD/LogD (pH 5.5): 10.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.91
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 189 Å2
Polarizability: 98.0±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 798.7±5.0 cm3

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