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Search term: 71115993 (Found by CSID)
ChemSpider 2D Image | looekeyolide A | C32H57NO11S

looekeyolide A

  • Molecular FormulaC32H57NO11S
  • Average mass663.860 Da
  • Monoisotopic mass663.365234 Da
  • ChemSpider ID71115993

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2S,3S,7S,10R,13R,14S,15R,17R,18R,19R)-15,17,18-Trihydroxy-10-isobutyl-3,19-dimethoxy-2,14,18-trimethyl-7-[2-(methylsulfanyl)ethyl]-13-propyl-6,12,21-trioxa-9-azabicyclo[15.3.1]henicosan-5,8,11-tri on [German] [ACD/IUPAC Name]
(1R,2S,3S,7S,10R,13R,14S,15R,17R,18R,19R)-15,17,18-Trihydroxy-10-isobutyl-3,19-dimethoxy-2,14,18-trimethyl-7-[2-(methylsulfanyl)ethyl]-13-propyl-6,12,21-trioxa-9-azabicyclo[15.3.1]henicosane-5,8,11-tr ione [ACD/IUPAC Name]
(1R,2S,3S,7S,10R,13R,14S,15R,17R,18R,19R)-15,17,18-Trihydroxy-10-isobutyl-3,19-diméthoxy-2,14,18-triméthyl-7-[2-(méthylsulfanyl)éthyl]-13-propyl-6,12,21-trioxa-9-azabicyclo[15.3.1]hénicosane-5,8,11-tr ione [French] [ACD/IUPAC Name]
6,12,21-Trioxa-9-azabicyclo[15.3.1]heneicosane-5,8,11-trione, 15,17,18-trihydroxy-3,19-dimethoxy-2,14,18-trimethyl-10-(2-methylpropyl)-7-[2-(methylthio)ethyl]-13-propyl-, (1R,2S,3S,7S,10R,13R,14S,15R, 17R,18R,19R)- [ACD/Index Name]
looekeyolide A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 833.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.8±6.0 kJ/mol
Flash Point: 457.7±34.3 °C
Index of Refraction: 1.531
Molar Refractivity: 171.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.41
ACD/KOC (pH 5.5): 508.79
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.40
ACD/KOC (pH 7.4): 508.76
Polar Surface Area: 195 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 553.8±5.0 cm3

Click to predict properties on the Chemicalize site


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