ChemSpider 2D Image | Trelagliptin-13C-d3 | C1713CH17D3FN5O2

Trelagliptin-13C-d3

  • Molecular FormulaC1713CH17D3FN5O2
  • Average mass361.393 Da
  • Monoisotopic mass361.182281 Da
  • ChemSpider ID76714609

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-({6-[(3R)-3-Amino-1-piperidinyl]-3-(13C,2H3)methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}methyl)-4-fluorbenzonitril [German] [ACD/IUPAC Name]
2-({6-[(3R)-3-Amino-1-piperidinyl]-3-(13C,2H3)methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}methyl)-4-fluorobenzonitrile [ACD/IUPAC Name]
2-({6-[(3R)-3-Amino-1-pipéridinyl]-3-(13C,2H3)méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}méthyl)-4-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[[6-[(3R)-3-amino-1-piperidinyl]-3,4-dihydro-3-(methyl-13C-d3)-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-4-fluoro- [ACD/Index Name]
Trelagliptin-13C-d3
2707203-34-5 [RN]

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: 1.646
Molar Refractivity: 93.4±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 257.4±5.0 cm3

Click to predict properties on the Chemicalize site


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