ChemSpider 2D Image | 5'-Isopropyl 3'-methyl (3R)-2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate | C22H24N2O8

5'-Isopropyl 3'-methyl (3R)-2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

  • Molecular FormulaC22H24N2O8
  • Average mass444.435 Da
  • Monoisotopic mass444.153259 Da
  • ChemSpider ID113597743

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-2'-Amino-1-(2-méthoxy-2-oxoéthyl)-6'-méthyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate de 5'-isopropyle et de 3'-méthyle [French] [ACD/IUPAC Name]
5'-Isopropyl 3'-methyl (3R)-2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate [ACD/IUPAC Name]
5'-Isopropyl-3'-methyl-(3R)-2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylat [German] [ACD/IUPAC Name]
Spiro[3H-indole-3,4'-[4H]pyran]-3',5'-dicarboxylic acid, 2'-amino-1,2-dihydro-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxo-, 3'-methyl 5'-(1-methylethyl) ester, (3R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 667.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.7±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.15
ACD/KOC (pH 5.5): 497.97
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.16
ACD/KOC (pH 7.4): 498.01
Polar Surface Area: 134 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 322.4±5.0 cm3

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