ChemSpider 2D Image | 3-Hydroxy-3-methyl-5-oxo-5-[(3,12,21,24,25-pentahydroxylanost-8-en-2-yl)oxy]pentanoic acid | C36H60O10

3-Hydroxy-3-methyl-5-oxo-5-[(3,12,21,24,25-pentahydroxylanost-8-en-2-yl)oxy]pentanoic acid

  • Molecular FormulaC36H60O10
  • Average mass652.856 Da
  • Monoisotopic mass652.418640 Da
  • ChemSpider ID22943354

More details:

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

3-Hydroxy-3-methyl-5-oxo-5-[(3,12,21,24,25-pentahydroxylanost-8-en-2-yl)oxy]pentanoic acid [ACD/IUPAC Name]
3-Hydroxy-3-methyl-5-oxo-5-[(3,12,21,24,25-pentahydroxylanost-8-en-2-yl)oxy]pentansäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-3-méthyl-5-oxo-5-[(3,12,21,24,25-pentahydroxylanost-8-én-2-yl)oxy]pentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-hydroxy-3-methyl-, mono(3,12,21,24,25-pentahydroxylanost-8-en-2-yl) ester [ACD/Index Name]
5-[[3,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
Compound NP-015046

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

Density: 1.3±0.1 g/cm3
Boiling Point: 806.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.5±6.0 kJ/mol
Flash Point: 244.0±27.8 °C
Index of Refraction: 1.578
Molar Refractivity: 172.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 3.58
ACD/KOC (pH 5.5): 35.00
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 520.5±5.0 cm3

Click to predict properties on the Chemicalize site


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