ChemSpider 2D Image | (3beta,8xi,9beta,24E)-3-{[(1R)-2-O-Hexopyranosylhexopyranosyl]oxy}-12,15-dihydroxy-9,19-cyclolanost-24-en-26-oic acid | C42H68O15

(3β,8ξ,9β,24E)-3-{[(1R)-2-O-Hexopyranosylhexopyranosyl]oxy}-12,15-dihydroxy-9,19-cyclolanost-24-en-26-oic acid

  • Molecular FormulaC42H68O15
  • Average mass812.980 Da
  • Monoisotopic mass812.455811 Da
  • ChemSpider ID22913327

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 21 defined stereocentres

More details:

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

(3β,8ξ,9β,24E)-3-{[(1R)-2-O-Hexopyranosylhexopyranosyl]oxy}-12,15-dihydroxy-9,19-cyclolanost-24-en-26-oic acid [ACD/IUPAC Name]
(3β,8ξ,9β,24E)-3-{[(1R)-2-O-Hexopyranosylhexopyranosyl]oxy}-12,15-dihydroxy-9,19-cyclolanost-24-en-26-säure [German] [ACD/IUPAC Name]
9,19-Cyclolanost-24-en-26-oic acid, 3-[[(1R)-2-O-hexopyranosylhexopyranosyl]oxy]-12,15-dihydroxy-, (3β,8ξ,9β,24E)- [ACD/Index Name]
Acide (3β,8ξ,9β,24E)-3-{[(1R)-2-O-hexopyranosylhexopyranosyl]oxy}-12,15-dihydroxy-9,19-cyclolanost-24-én-26-oïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 962.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.9±6.0 kJ/mol
Flash Point: 284.0±27.8 °C
Index of Refraction: 1.623
Molar Refractivity: 204.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 2.69
ACD/KOC (pH 5.5): 47.32
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 256 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 578.3±5.0 cm3

Click to predict properties on the Chemicalize site


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