ChemSpider 2D Image | Oclacitinib-13C-d3 | C1413CH20D3N5O2S

Oclacitinib-13C-d3

  • Molecular FormulaC1413CH20D3N5O2S
  • Average mass341.452 Da
  • Monoisotopic mass341.179443 Da
  • ChemSpider ID84400541

  • 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

Cyclohexanemethanesulfonamide, N-methyl-4-(methyl-13C-d3-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-, trans- [ACD/Index Name]
N-Methyl-1-{trans-4-[(13C,2H3)methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl}methanesulfonamide [ACD/IUPAC Name]
N-Méthyl-1-{trans-4-[(13C,2H3)méthyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-Methyl-1-{trans-4-[(13C,2H3)methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl}methansulfonamid [German] [ACD/IUPAC Name]
Oclacitinib-13C-d3

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 89.8±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: 35.6±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 256.2±3.0 cm3

Click to predict properties on the Chemicalize site


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