ChemSpider 2D Image | 1-Benzyl 2-(2-methyl-2-propanyl) (2S,5R)-5-[4-([(benzyloxy)carbonyl]{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-methoxy-5-oxopentyl]-1,2-pyrrolidinedicarboxylate | C36H48N2O10

1-Benzyl 2-(2-methyl-2-propanyl) (2S,5R)-5-[4-([(benzyloxy)carbonyl]{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-methoxy-5-oxopentyl]-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC36H48N2O10
  • Average mass668.774 Da
  • Monoisotopic mass668.330872 Da
  • ChemSpider ID8755677

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,5R)-5-[4-([(Benzyloxy)carbonyl]{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-5-méthoxy-5-oxopentyl]-1,2-pyrrolidinedicarboxylate de 1-benzyle et de 2-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 5-[4-[[(1,1-dimethylethoxy)carbonyl][(phenylmethoxy)carbonyl]amino]-5-methoxy-5-oxopentyl]-, 2-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2S,5R)- [ACD/Index Name]
1-Benzyl 2-(2-methyl-2-propanyl) (2S,5R)-5-[4-([(benzyloxy)carbonyl]{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-methoxy-5-oxopentyl]-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
1-Benzyl-2-(2-methyl-2-propanyl)-(2S,5R)-5-[4-([(benzyloxy)carbonyl]{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-methoxy-5-oxopentyl]-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 706.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 381.0±35.7 °C
Index of Refraction: 1.537
Molar Refractivity: 176.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 98583.88
ACD/KOC (pH 5.5): 130660.75
ACD/LogD (pH 7.4): 6.87
ACD/BCF (pH 7.4): 98583.88
ACD/KOC (pH 7.4): 130660.75
Polar Surface Area: 138 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 563.2±3.0 cm3

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