Found 5 results

Search term: IXRHWRRLTANMPL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | verlotorin | C15H20O4

verlotorin

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID62984151

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aS,7R,11aR)-7-Hydroperoxy-10-methyl-3,6-bis(methylene)-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-2(3H)-one [ACD/IUPAC Name]
(3aS,7R,11aR)-7-Hydroperoxy-10-methyl-3,6-dimethylen-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aS,7R,11aR)-7-Hydroperoxy-10-méthyl-3,6-diméthylène-3a,4,5,6,7,8,9,11a-octahydrocyclodéca[b]furan-2(3H)-one [French] [ACD/IUPAC Name]
Cyclodeca[b]furan-2(3H)-one, 3a,4,5,6,7,8,9,11a-octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)-, (3aS,7R,11aR)- [ACD/Index Name]
verlotorin
31105-79-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 460.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.2±6.0 kJ/mol
Flash Point: 171.9±22.2 °C
Index of Refraction: 1.530
Molar Refractivity: 71.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.54
ACD/KOC (pH 5.5): 1061.93
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.54
ACD/KOC (pH 7.4): 1061.88
Polar Surface Area: 56 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 230.6±5.0 cm3

Click to predict properties on the Chemicalize site


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