ChemSpider 2D Image | Dimethyl (3S)-2'-amino-1-[2-(benzyloxy)-2-oxoethyl]-6'-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate | C28H26N2O10

Dimethyl (3S)-2'-amino-1-[2-(benzyloxy)-2-oxoethyl]-6'-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

  • Molecular FormulaC28H26N2O10
  • Average mass550.513 Da
  • Monoisotopic mass550.158752 Da
  • ChemSpider ID58175052

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-2'-Amino-1-[2-(benzyloxy)-2-oxoéthyl]-6'-(2-méthoxy-2-oxoéthyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (3S)-2'-amino-1-[2-(benzyloxy)-2-oxoethyl]-6'-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(3S)-2'-amino-1-[2-(benzyloxy)-2-oxoethyl]-6'-(2-methoxy-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]-1,2'(2H)-diacetic acid, 6'-amino-3',5'-bis(methoxycarbonyl)-2-oxo-, 2'-methyl 1-(phenylmethyl) ester, (3S)- [ACD/Index Name]
(S)-dimethyl 2'-amino-1-(2-(benzyloxy)-2-oxoethyl)-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 773.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 421.8±32.9 °C
Index of Refraction: 1.636
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.77
ACD/KOC (pH 5.5): 1219.19
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.78
ACD/KOC (pH 7.4): 1219.25
Polar Surface Area: 161 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 382.8±5.0 cm3

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