ChemSpider 2D Image | (3S,3''S,2'R,5'S)-1-Acetyl-1''-benzyl-dispiro[6-chloro-oxindole-3,1'-[5'-hydroxy-2'-methoxycarbonyl-5'-phenyl]-cyclopentane-3',3''-oxindole] | C36H29ClN2O6

(3S,3''S,2'R,5'S)-1-Acetyl-1''-benzyl-dispiro[6-chloro-oxindole-3,1'-[5'-hydroxy-2'-methoxycarbonyl-5'-phenyl]-cyclopentane-3',3''-oxindole]

  • Molecular FormulaC36H29ClN2O6
  • Average mass621.078 Da
  • Monoisotopic mass620.171387 Da
  • ChemSpider ID26001583

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2'R,3S,3'S,4'S)-1''-Acétyl-1-benzyl-6''-chloro-4'-hydroxy-2,2''-dioxo-4'-phényl-1,1'',2,2''-tétrahydrodispiro[indole-3,1'-cyclopentane-3',3''-indole]-2'-carboxylate de méthyle [French] [ACD/IUPAC Name]
(3S,3''S,2'R,5'S)-1-Acetyl-1''-benzyl-dispiro[6-chloro-oxindole-3,1'-[5'-hydroxy-2'-methoxycarbonyl-5'-phenyl]-cyclopentane-3',3''-oxindole]
Dispiro[3H-indole-3,1'-cyclopentane-3',3''-[3H]indole]-2'-carboxylic acid, 1''-acetyl-6''-chloro-1,1'',2,2''-tetrahydro-4'-hydroxy-2,2''-dioxo-4'-phenyl-1-(phenylmethyl)-, methyl ester, (2'R,3S,3'S,4' S)- [ACD/Index Name]
Methyl (2'R,3S,3'S,4'S)-1''-acetyl-1-benzyl-6''-chloro-4'-hydroxy-2,2''-dioxo-4'-phenyl-1,1'',2,2''-tetrahydrodispiro[indole-3,1'-cyclopentane-3',3''-indole]-2'-carboxylate [ACD/IUPAC Name]
Methyl-(2'R,3S,3'S,4'S)-1''-acetyl-1-benzyl-6''-chlor-4'-hydroxy-2,2''-dioxo-4'-phenyl-1,1'',2,2''-tetrahydrodispiro[indole-3,1'-cyclopentane-3',3''-indole]-2'-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 883.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.5±3.0 kJ/mol
Flash Point: 487.9±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 166.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7171.97
ACD/KOC (pH 5.5): 20019.67
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7171.68
ACD/KOC (pH 7.4): 20018.88
Polar Surface Area: 104 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 77.2±5.0 dyne/cm
Molar Volume: 421.2±5.0 cm3

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