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Search term: JQOYPOSGHDJFLI-AVNCTIOFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (+)-Uvaricin | C39H68O7

(+)-Uvaricin

  • Molecular FormulaC39H68O7
  • Average mass648.953 Da
  • Monoisotopic mass648.496521 Da
  • ChemSpider ID390275

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(+)-Uvaricin
(1S)-1-[(2R,2'R,5R,5'R)-5'-{(1R)-1-Hydroxy-13-[(5S)-5-methyl-2-oxo-2,5-dihydro-3-furanyl]tridecyl}octahydro-2,2'-bifuran-5-yl]undecyl acetate [ACD/IUPAC Name]
(1S)-1-[(2R,2'R,5R,5'R)-5'-{(1R)-1-Hydroxy-13-[(5S)-5-methyl-2-oxo-2,5-dihydro-3-furanyl]tridecyl}octahydro-2,2'-bifuran-5-yl]undecyl-acetat [German] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(13R)-13-[(2R,2'R,5R,5'R)-5'-[(1S)-1-(acetyloxy)undecyl]octahydro[2,2'-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-, (5S)- [ACD/Index Name]
82064-83-3 [RN]
Acétate de (1S)-1-[(2R,2'R,5R,5'R)-5'-{(1R)-1-hydroxy-13-[(5S)-5-méthyl-2-oxo-2,5-dihydro-3-furanyl]tridécyl}octahydro-2,2'-bifuran-5-yl]undécyle [French] [ACD/IUPAC Name]
uvaricin
(1S)-1-[(2R,2'R,5R,5'R)-5'-{(1R)-1-hydroxy-13-[(5S)-5-methyl-2-oxo-2,5-dihydrofuran-3-yl]tridecyl}octahydro-2,2'-bifuran-5-yl]undecyl acetate
(1S)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxy-13-[(5S)-5-methyl-2-oxo-2,5-dihydrofuran-3-yl]tridecyl]oxolan-2-yl]oxolan-2-yl]undecyl acetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL504329/
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C08572 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 730.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 211.1±20.8 °C
Index of Refraction: 1.495
Molar Refractivity: 184.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 9.88
ACD/LogD (pH 5.5): 9.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5464366.00
ACD/LogD (pH 7.4): 9.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5464366.00
Polar Surface Area: 91 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 632.1±3.0 cm3

Click to predict properties on the Chemicalize site


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