ChemSpider 2D Image | 1-Benzyl 3-(2-methyl-2-propanyl) (3S)-2-[(2R)-2-{2-[(benzyloxy)amino]-2-oxoethyl}decanoyl]tetrahydro-1,3(2H)-pyridazinedicarboxylate | C36H51N3O7

1-Benzyl 3-(2-methyl-2-propanyl) (3S)-2-[(2R)-2-{2-[(benzyloxy)amino]-2-oxoethyl}decanoyl]tetrahydro-1,3(2H)-pyridazinedicarboxylate

  • Molecular FormulaC36H51N3O7
  • Average mass637.806 Da
  • Monoisotopic mass637.372681 Da
  • ChemSpider ID8921997

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-2-[(2R)-2-{2-[(Benzyloxy)amino]-2-oxoéthyl}decanoyl]tétrahydro-1,3(2H)-pyridazinedicarboxylate de 1-benzyle et de 3-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,3(2H)-Pyridazinedicarboxylic acid, tetrahydro-2-[(2R)-1-oxo-2-[2-oxo-2-[(phenylmethoxy)amino]ethyl]decyl]-, 3-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (3S)- [ACD/Index Name]
1-Benzyl 3-(2-methyl-2-propanyl) (3S)-2-[(2R)-2-{2-[(benzyloxy)amino]-2-oxoethyl}decanoyl]tetrahydro-1,3(2H)-pyridazinedicarboxylate [ACD/IUPAC Name]
1-Benzyl-3-(2-methyl-2-propanyl)-(3S)-2-[(2R)-2-{2-[(benzyloxy)amino]-2-oxoethyl}decanoyl]tetrahydro-1,3(2H)-pyridazindicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.540
Molar Refractivity: 175.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 7.40
ACD/BCF (pH 5.5): 246654.41
ACD/KOC (pH 5.5): 251902.09
ACD/LogD (pH 7.4): 7.40
ACD/BCF (pH 7.4): 246654.41
ACD/KOC (pH 7.4): 251902.09
Polar Surface Area: 114 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 560.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement