ChemSpider 2D Image | Salvinorin A Carbamate | C22H27NO8

Salvinorin A Carbamate

  • Molecular FormulaC22H27NO8
  • Average mass433.452 Da
  • Monoisotopic mass433.173676 Da
  • ChemSpider ID58131433

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,4aR,6aR,7R,9S,10aS,10bR)-9-(Carbamoyloxy)-2-(3-furyl)-6a,10b-diméthyl-4,10-dioxododécahydro-2H-benzo[f]isochromène-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 9-[(aminocarbonyl)oxy]-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)- [ACD/Index Name]
858345-57-0 [RN]
Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(carbamoyloxy)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromene-7-carboxylate [ACD/IUPAC Name]
Methyl-(2S,4aR,6aR,7R,9S,10aS,10bR)-9-(carbamoyloxy)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-7-carboxylat [German] [ACD/IUPAC Name]
Salvinorin A Carbamate
(2S,4aR,6aR,7R,9S,10aS,10bR)-9-[(aminocarbonyl)oxy]-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic acid, methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3349979/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 627.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.5±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 105.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.24
ACD/KOC (pH 5.5): 157.46
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.24
ACD/KOC (pH 7.4): 157.46
Polar Surface Area: 135 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 323.3±5.0 cm3

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