ChemSpider 2D Image | N-(3-Hydroxy-3-methyl-5-oxo-5-{[(2alpha,3beta,5xi,12alpha,24R)-2,12,21,24,25-pentahydroxylanost-8-en-3-yl]oxy}pentanoyl)glycine | C38H63NO11

N-(3-Hydroxy-3-methyl-5-oxo-5-{[(2α,3β,5ξ,12α,24R)-2,12,21,24,25-pentahydroxylanost-8-en-3-yl]oxy}pentanoyl)glycine

  • Molecular FormulaC38H63NO11
  • Average mass709.907 Da
  • Monoisotopic mass709.440125 Da
  • ChemSpider ID170474

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

N-(3-Hydroxy-3-methyl-5-oxo-5-{[(2α,3β,5ξ,12α,24R)-2,12,21,24,25-pentahydroxylanost-8-en-3-yl]oxy}pentanoyl)glycin [German] [ACD/IUPAC Name]
N-(3-Hydroxy-3-methyl-5-oxo-5-{[(2α,3β,5ξ,12α,24R)-2,12,21,24,25-pentahydroxylanost-8-en-3-yl]oxy}pentanoyl)glycine [ACD/IUPAC Name]
N-(3-Hydroxy-3-méthyl-5-oxo-5-{[(2α,3β,5ξ,12α,24R)-2,12,21,24,25-pentahydroxylanost-8-én-3-yl]oxy}pentanoyl)glycine [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[(carboxymethyl)amino]-3-hydroxy-3-methyl-5-oxo-, 1-[(2α,3β,5ξ,12α,24R)-2,12,21,24,25-pentahydroxylanost-8-en-3-yl] ester [ACD/Index Name]
126882-56-2 [RN]
3-O-(N-Glycyl-3-hydroxy-3-methylglutaryl)fasciculol C
Fasciculic acid C
Lanost-8-ene-2,3,12,21,24,25-hexol, 3-(5-((carboxymethyl)amino)-3-hydroxy-3-methyl-5-oxopentanoate), (2α,3β,12α,24R)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 898.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.3±6.0 kJ/mol
Flash Point: 497.2±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 185.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.72
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 556.5±5.0 cm3

Click to predict properties on the Chemicalize site


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