ChemSpider 2D Image | (~2~H_3_)Methyl (6S,7S)-7-(hydroxycarbamoyl)-6-[(4-phenyl-1-piperazinyl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylate | C21H25D3N4O5

(2H3)Methyl (6S,7S)-7-(hydroxycarbamoyl)-6-[(4-phenyl-1-piperazinyl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylate

  • Molecular FormulaC21H25D3N4O5
  • Average mass419.489 Da
  • Monoisotopic mass419.224792 Da
  • ChemSpider ID107442266

  • 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

(2H3)Methyl (6S,7S)-7-(hydroxycarbamoyl)-6-[(4-phenyl-1-piperazinyl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylate [ACD/IUPAC Name]
(2H3)Methyl-(6S,7S)-7-(hydroxycarbamoyl)-6-[(4-phenyl-1-piperazinyl)carbonyl]-5-azaspiro[2.5]octan-5-carboxylat [German] [ACD/IUPAC Name]
(6S,7S)-7-(Hydroxycarbamoyl)-6-[(4-phényl-1-pipérazinyl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylate de (2H3)méthyle [French] [ACD/IUPAC Name]
5-Azaspiro[2.5]octane-5-carboxylic acid, 7-[(hydroxyamino)carbonyl]-6-[(4-phenyl-1-piperazinyl)carbonyl]-, methyl-d3 ester, (6S,7S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 109.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.30
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.93
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.69
Polar Surface Area: 102 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 301.5±5.0 cm3

Click to predict properties on the Chemicalize site


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