ChemSpider 2D Image | 3'-Butyl 5'-ethyl (3R)-1-allyl-2'-amino-6'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate | C27H32N2O8

3'-Butyl 5'-ethyl (3R)-1-allyl-2'-amino-6'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

  • Molecular FormulaC27H32N2O8
  • Average mass512.552 Da
  • Monoisotopic mass512.215881 Da
  • ChemSpider ID113597747

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-Allyl-2'-amino-6'-(2-éthoxy-2-oxoéthyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate de 3'-butyle et de 5'-éthyle [French] [ACD/IUPAC Name]
3'-Butyl 5'-ethyl (3R)-1-allyl-2'-amino-6'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate [ACD/IUPAC Name]
3'-Butyl-5'-ethyl-(3R)-1-allyl-2'-amino-6'-(2-ethoxy-2-oxoethyl)-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-6'-(2-ethoxy-2-oxoethyl)-1,2-dihydro-2-oxo-1-(2-propen-1-yl)-, 3'-butyl 5'-ethyl ester, (3R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 705.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.2±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1017.10
ACD/KOC (pH 5.5): 4945.64
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1017.50
ACD/KOC (pH 7.4): 4947.57
Polar Surface Area: 134 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 397.5±5.0 cm3

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