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Search term: 113720 (Found by CSID)
ChemSpider 2D Image | (2alpha,3beta,5xi,12alpha,24R)-3,12,21,24,25-Pentahydroxylanost-8-en-2-yl 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate | C39H65NO11

(2α,3β,5ξ,12α,24R)-3,12,21,24,25-Pentahydroxylanost-8-en-2-yl 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate

  • Molecular FormulaC39H65NO11
  • Average mass723.933 Da
  • Monoisotopic mass723.455750 Da
  • ChemSpider ID113720

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(2α,3β,5ξ,12α,24R)-3,12,21,24,25-Pentahydroxylanost-8-en-2-yl 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate [ACD/IUPAC Name]
(2α,3β,5ξ,12α,24R)-3,12,21,24,25-Pentahydroxylanost-8-en-2-yl-3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoat [German] [ACD/IUPAC Name]
3-Hydroxy-5-[(2-méthoxy-2-oxoéthyl)amino]-3-méthyl-5-oxopentanoate de (2α,3β,5ξ,12α,24R)-3,12,21,24,25-pentahydroxylanost-8-én-2-yle [French] [ACD/IUPAC Name]
Pentanoic acid, 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxo-, (2α,3β,5ξ,12α,24R)-3,12,21,24,25-pentahydroxylanost-8-en-2-yl ester [ACD/Index Name]
65694-21-5 [RN]
Fasciculol F
Lanost-8-ene-2,3,12,21,24,25-hexol, 2-(3-hydroxy-5-((2-methoxy-2-oxoethyl)amino)-3-methyl-5-oxopentanoate), (2α,3β,12α,24R)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 860.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.2±6.0 kJ/mol
Flash Point: 474.4±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 190.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.62
ACD/KOC (pH 5.5): 577.49
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.62
ACD/KOC (pH 7.4): 577.49
Polar Surface Area: 203 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 581.3±5.0 cm3

Click to predict properties on the Chemicalize site


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