ChemSpider 2D Image | (3beta)-3-{[(2R,3S,4S)-3,4-Dihydroxy-2-{[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}cyclohexyl]oxy}lanosta-8,24-dien-30-oic acid | C43H70O10

(3β)-3-{[(2R,3S,4S)-3,4-Dihydroxy-2-{[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}cyclohexyl]oxy}lanosta-8,24-dien-30-oic acid

  • Molecular FormulaC43H70O10
  • Average mass747.010 Da
  • Monoisotopic mass746.496887 Da
  • ChemSpider ID8366127

  • defined stereocentres - 14 of 16 defined stereocentres

More details:

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

(3β)-3-{[(2R,3S,4S)-3,4-Dihydroxy-2-{[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}cyclohexyl]oxy}lanosta-8,24-dien-30-oic acid [ACD/IUPAC Name]
(3β)-3-{[(2R,3S,4S)-3,4-Dihydroxy-2-{[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}cyclohexyl]oxy}lanosta-8,24-dien-30-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[(2R,3S,4S)-3,4-dihydroxy-2-{[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxyméthyl)cyclohexyl]oxy}cyclohexyl]oxy}lanosta-8,24-dién-30-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-30-oic acid, 3-[[(2R,3S,4S)-3,4-dihydroxy-2-[[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy]cyclohexyl]oxy]-, (3β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 814.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.7±6.0 kJ/mol
Flash Point: 234.9±27.8 °C
Index of Refraction: 1.589
Molar Refractivity: 202.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 9184.27
ACD/KOC (pH 5.5): 12424.70
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 144.37
ACD/KOC (pH 7.4): 195.31
Polar Surface Area: 177 Å2
Polarizability: 80.1±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 600.1±5.0 cm3

Click to predict properties on the Chemicalize site


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