ChemSpider 2D Image | 3-Hydroxy-3-methyl-5-oxo-5-[(3,12,24,25-tetrahydroxylanost-8-en-2-yl)oxy]pentanoic acid | C36H60O9

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

  • Molecular FormulaC36H60O9
  • Average mass636.856 Da
  • Monoisotopic mass636.423706 Da
  • ChemSpider ID22943367

More details:

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

126882-55-1 [RN]
3-Hydroxy-3-methyl-5-oxo-5-[(3,12,24,25-tetrahydroxylanost-8-en-2-yl)oxy]pentanoic acid [ACD/IUPAC Name]
3-Hydroxy-3-methyl-5-oxo-5-[(3,12,24,25-tetrahydroxylanost-8-en-2-yl)oxy]pentansäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-3-méthyl-5-oxo-5-[(3,12,24,25-tétrahydroxylanost-8-én-2-yl)oxy]pentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-hydroxy-3-methyl-, mono(3,12,24,25-tetrahydroxylanost-8-en-2-yl) ester [ACD/Index Name]
5-[[17-(5,6-dihydroxy-6-methylheptan-2-yl)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-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
Fasciculic acid B

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 767.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.4±6.0 kJ/mol
Flash Point: 231.2±26.4 °C
Index of Refraction: 1.568
Molar Refractivity: 171.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 59.16
ACD/KOC (pH 5.5): 260.81
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 4.53
Polar Surface Area: 165 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 523.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement