Found 87 results

Search term: MF = 'C_{36}H_{43}N_{3}O_{6}'
ChemSpider 2D Image | 4-Biphenylylmethyl (4S)-4-({[(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}-3-heptanyl]carbamoyl}oxy)-3,3-dimethyl-1-pyrrolidinecarboxylate | C36H43N3O6

4-Biphenylylmethyl (4S)-4-({[(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}-3-heptanyl]carbamoyl}oxy)-3,3-dimethyl-1-pyrrolidinecarboxylate

  • Molecular FormulaC36H43N3O6
  • Average mass613.743 Da
  • Monoisotopic mass613.315186 Da
  • ChemSpider ID24681987

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S)-4-({[(3S)-1,2-Dioxo-1-{[(1R)-1-phényléthyl]amino}-3-heptanyl]carbamoyl}oxy)-3,3-diméthyl-1-pyrrolidinecarboxylate de 4-biphénylylméthyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 4-[[[[(1S)-1-[1,2-dioxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pentyl]amino]carbonyl]oxy]-3,3-dimethyl-, [1,1'-biphenyl]-4-ylmethyl ester, (4S)- [ACD/Index Name]
4-Biphenylylmethyl (4S)-4-({[(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}-3-heptanyl]carbamoyl}oxy)-3,3-dimethyl-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
4-Biphenylylmethyl-(4S)-4-({[(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}-3-heptanyl]carbamoyl}oxy)-3,3-dimethyl-1-pyrrolidincarboxylat [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 172.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 25691.96
ACD/KOC (pH 5.5): 49901.75
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25654.64
ACD/KOC (pH 7.4): 49829.27
Polar Surface Area: 114 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 504.4±5.0 cm3

Click to predict properties on the Chemicalize site


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