ChemSpider 2D Image | Bis(2-methyl-2-propanyl) 1-{(1S,2S)-1-[3-(benzyloxy)-4-methoxyphenyl]-1-hydroxy-3-methoxy-3-oxo-2-propanyl}-1,2-hydrazinedicarboxylate | C28H38N2O9

Bis(2-methyl-2-propanyl) 1-{(1S,2S)-1-[3-(benzyloxy)-4-methoxyphenyl]-1-hydroxy-3-methoxy-3-oxo-2-propanyl}-1,2-hydrazinedicarboxylate

  • Molecular FormulaC28H38N2O9
  • Average mass546.609 Da
  • Monoisotopic mass546.257751 Da
  • ChemSpider ID9389991
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,2-Hydrazinedicarboxylic acid, 1-[(1S,2S)-2-hydroxy-1-(methoxycarbonyl)-2-[4-methoxy-3-(phenylmethoxy)phenyl]ethyl]-, bis(1,1-dimethylethyl) ester [ACD/Index Name]
1-{(1S,2S)-1-[3-(Benzyloxy)-4-méthoxyphényl]-1-hydroxy-3-méthoxy-3-oxo-2-propanyl}-1,2-hydrazinedicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) 1-{(1S,2S)-1-[3-(benzyloxy)-4-methoxyphenyl]-1-hydroxy-3-methoxy-3-oxo-2-propanyl}-1,2-hydrazinedicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-1-{(1S,2S)-1-[3-(benzyloxy)-4-methoxyphenyl]-1-hydroxy-3-methoxy-3-oxo-2-propanyl}-1,2-hydrazindicarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.544
Molar Refractivity: 143.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1653.07
ACD/KOC (pH 5.5): 6997.18
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1369.41
ACD/KOC (pH 7.4): 5796.48
Polar Surface Area: 133 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 454.3±3.0 cm3

Click to predict properties on the Chemicalize site






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