ChemSpider 2D Image | Bis(2-methyl-2-propanyl) 1-[(1S)-1-(1,3-benzodioxol-5-yl)-2-{[(1S,2S)-1-hydroxy-1-phenyl-2-propanyl](methyl)amino}-2-oxoethyl]-1,2-hydrazinedicarboxylate | C29H39N3O8

Bis(2-methyl-2-propanyl) 1-[(1S)-1-(1,3-benzodioxol-5-yl)-2-{[(1S,2S)-1-hydroxy-1-phenyl-2-propanyl](methyl)amino}-2-oxoethyl]-1,2-hydrazinedicarboxylate

  • Molecular FormulaC29H39N3O8
  • Average mass557.635 Da
  • Monoisotopic mass557.273743 Da
  • ChemSpider ID9170472

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,2-Hydrazinedicarboxylic acid, 1-[(1S)-1-(1,3-benzodioxol-5-yl)-2-[[(1S,2S)-2-hydroxy-1-methyl-2-phenylethyl]methylamino]-2-oxoethyl]-, bis(1,1-dimethylethyl) ester [ACD/Index Name]
1-[(1S)-1-(1,3-Benzodioxol-5-yl)-2-{[(1S,2S)-1-hydroxy-1-phényl-2-propanyl](méthyl)amino}-2-oxoéthyl]-1,2-hydrazinedicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) 1-[(1S)-1-(1,3-benzodioxol-5-yl)-2-{[(1S,2S)-1-hydroxy-1-phenyl-2-propanyl](methyl)amino}-2-oxoethyl]-1,2-hydrazinedicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-1-[(1S)-1-(1,3-benzodioxol-5-yl)-2-{[(1S,2S)-1-hydroxy-1-phenyl-2-propanyl](methyl)amino}-2-oxoethyl]-1,2-hydrazindicarboxylat [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: 1.565
Molar Refractivity: 147.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 668.69
ACD/KOC (pH 5.5): 3661.68
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 587.44
ACD/KOC (pH 7.4): 3216.74
Polar Surface Area: 127 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 452.1±3.0 cm3

Click to predict properties on the Chemicalize site


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