ChemSpider 2D Image | 5'-Benzyl 1-(2-methyl-2-propanyl) (3a'S,6a'R)-3'-oxohexahydro-1H,5'H-spiro[piperidine-4,1'-pyrrolo[3,4-c]pyrrole]-1,5'-dicarboxylate | C23H31N3O5

5'-Benzyl 1-(2-methyl-2-propanyl) (3a'S,6a'R)-3'-oxohexahydro-1H,5'H-spiro[piperidine-4,1'-pyrrolo[3,4-c]pyrrole]-1,5'-dicarboxylate

  • Molecular FormulaC23H31N3O5
  • Average mass429.509 Da
  • Monoisotopic mass429.226379 Da
  • ChemSpider ID25027283

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

5'-Benzyl 1-(2-methyl-2-propanyl) (3a'S,6a'R)-3'-oxohexahydro-1H,5'H-spiro[piperidine-4,1'-pyrrolo[3,4-c]pyrrole]-1,5'-dicarboxylate [ACD/IUPAC Name]
Spiro[piperidine-4,1'(5'H)-pyrrolo[3,4-c]pyrrole]-1,5'-dicarboxylic acid, hexahydro-3'-oxo-, 1-(1,1-dimethylethyl) 5'-(phenylmethyl) ester, (3a'S,6a'R)- [ACD/Index Name]
(3as,6ar)-5-benzyl 1-tert-butyl 3-oxotetrahydro-2h-spiro[piperidine-4,1-pyrrolo[3,4-c]pyrrole]-1,5(3h)-dicarboxylate
1268519-36-3 [RN]
5'-benzyl 1-(tert-butyl) (3a'S,6a'R)-3'-oxohexahydro-5'H-spiro[piperidine-4,1'-pyrrolo[3,4-c]pyrrole]-1,5'-dicarboxylate
5'-benzyl1-tert-butyl3'-oxotetrahydro-2'H-spiro[piperidine-4,1'-pyrrolo[3,4-c]pyrrole]-1,5'(3'H)-dicarboxylate
5-O-benzyl 1-O'-tert-butyl (3aR,6aS)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1',5-dicarboxylate
CIs-5-Benzyl 1-Tert-Butyl 3-Oxotetrahydro-2H-Spiro[Piperidine-4,1-Pyrrolo[3,4-C]Pyrrole]-1,5(3H)-Dicarboxylate
cis-5-benzyl 1-tert-butyl 3-oxotetrahydro-2h-spiro[piperidine-4,1-pyrrolo[3,4-c]pyrrole]-1,5(3h)-dicarboxylate(wx105148)
INSC164
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 618.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.6±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 114.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.98
ACD/KOC (pH 5.5): 338.28
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.98
ACD/KOC (pH 7.4): 338.28
Polar Surface Area: 88 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 336.6±5.0 cm3

Click to predict properties on the Chemicalize site


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