ChemSpider 2D Image | (9S,10R)-10-Acetoxy-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl 2-methylbutanoate | C21H24O7

(9S,10R)-10-Acetoxy-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl 2-methylbutanoate

  • Molecular FormulaC21H24O7
  • Average mass388.411 Da
  • Monoisotopic mass388.152191 Da
  • ChemSpider ID57257039

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(9S,10R)-10-Acetoxy-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl 2-methylbutanoate [ACD/IUPAC Name]
(9S,10R)-10-Acetoxy-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl-2-methylbutanoat [German] [ACD/IUPAC Name]
2-Méthylbutanoate de (9S,10R)-10-acétoxy-8,8-diméthyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromén-9-yle [French] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, (9S,10R)-10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester [ACD/Index Name]
[(9S,10R)-10-Acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 2-methylbutanoate
130464-55-0 [RN]
2-?methyl-?Butanoic acid, (9S,?10R)?-?10-?(acetyloxy)?-?9,?10-?dihydro-?8,?8-?dimethyl-?2-?oxo-?2H,?8H-?benzo[1,?2-?b:3,?4-?b']?dipyran-?9-?yl ester
CID 12314635
Peucedanocoumarin I

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

Density: 1.3±0.1 g/cm3
Boiling Point: 477.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 206.9±28.8 °C
Index of Refraction: 1.560
Molar Refractivity: 99.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 403.35
ACD/KOC (pH 5.5): 2551.22
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 403.35
ACD/KOC (pH 7.4): 2551.22
Polar Surface Area: 88 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 307.2±5.0 cm3

Click to predict properties on the Chemicalize site


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