ChemSpider 2D Image | 3-[(2R)-3-{(3S)-3-Benzyl-3-[(trimethylhydrazino)carbonyl]-1-piperidinyl}-2-{[2-(~2~H_3_)methyl(3,3,3-~2~H_3_)alanyl]amino}-3-oxopropyl]-1H-indole | C31H36D6N6O3

3-[(2R)-3-{(3S)-3-Benzyl-3-[(trimethylhydrazino)carbonyl]-1-piperidinyl}-2-{[2-(2H3)methyl(3,3,3-2H3)alanyl]amino}-3-oxopropyl]-1H-indole

  • Molecular FormulaC31H36D6N6O3
  • Average mass552.741 Da
  • Monoisotopic mass552.369507 Da
  • ChemSpider ID107443278

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

3-[(2R)-3-{(3S)-3-Benzyl-3-[(trimethylhydrazino)carbonyl]-1-piperidinyl}-2-{[2-(2H3)methyl(3,3,3-2H3)alanyl]amino}-3-oxopropyl]-1H-indol [German] [ACD/IUPAC Name]
3-[(2R)-3-{(3S)-3-Benzyl-3-[(trimethylhydrazino)carbonyl]-1-piperidinyl}-2-{[2-(2H3)methyl(3,3,3-2H3)alanyl]amino}-3-oxopropyl]-1H-indole [ACD/IUPAC Name]
3-[(2R)-3-{(3S)-3-Benzyl-3-[(triméthylhydrazino)carbonyl]-1-pipéridinyl}-2-{[2-(2H3)méthyl(3,3,3-2H3)alanyl]amino}-3-oxopropyl]-1H-indole [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[(2R)-2-[[2-amino-2-(methyl-d3)-1-oxopropyl-3,3,3-d3]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-3-(phenylmethyl)-, 1,2,2-trimethylhydrazide, (3S)- [ACD/Index 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: 1.619
Molar Refractivity: 157.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.77
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 27.29
ACD/KOC (pH 7.4): 274.60
Polar Surface Area: 115 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 450.0±3.0 cm3

Click to predict properties on the Chemicalize site


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