ChemSpider 2D Image | RB-64 | C24H27NO8S

RB-64

  • Molecular FormulaC24H27NO8S
  • Average mass489.538 Da
  • Monoisotopic mass489.145752 Da
  • ChemSpider ID30812525
  • 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)-2-(3-Furyl)-6a,10b-diméthyl-4,10-dioxo-9-(2-thiocyanatoacétoxy)dodécahydro-2H-benzo[f]isochromène-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-9-[(2-thiocyanatoacetyl)oxy]-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)- [ACD/Index Name]
Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-9-(2-thiocyanatoacetoxy)dodecahydro-2H-benzo[f]isochromene-7-carboxylate [ACD/IUPAC Name]
Methyl-(2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-9-(2-thiocyanatoacetoxy)dodecahydro-2H-benzo[f]isochromen-7-carboxylat [German] [ACD/IUPAC Name]
RB-64

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 652.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.6±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 56.09
ACD/KOC (pH 5.5): 621.53
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 56.09
ACD/KOC (pH 7.4): 621.53
Polar Surface Area: 158 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 359.3±5.0 cm3

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