ChemSpider 2D Image | (2S)-1-{N-[(1r,3s,5R,7S)-3-Hydroxyadamantan-1-yl]glycyl}-2-(~13~C_4_,~15~N)pyrrolidine(~13~C)carbonitrile | C1213C5H25N215NO2

(2S)-1-{N-[(1r,3s,5R,7S)-3-Hydroxyadamantan-1-yl]glycyl}-2-(13C4,15N)pyrrolidine(13C)carbonitrile

  • Molecular FormulaC1213C5H25N215NO2
  • Average mass309.356 Da
  • Monoisotopic mass309.208496 Da
  • ChemSpider ID77499002

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-1-{N-[(1r,3s,5R,7S)-3-Hydroxyadamantan-1-yl]glycyl}-2-(13C4,15N)pyrrolidin(13C)carbonitril [German] [ACD/IUPAC Name]
(2S)-1-{N-[(1r,3s,5R,7S)-3-Hydroxyadamantan-1-yl]glycyl}-2-(13C4,15N)pyrrolidine(13C)carbonitrile [ACD/IUPAC Name]
(2S)-1-{N-[(1r,3s,5R,7S)-3-Hydroxyadamantan-1-yl]glycyl}-2-(13C4,15N)pyrrolidine(13C)carbonitrile [French] [ACD/IUPAC Name]
2-Pyrrolidine-2,3,4,5-13C4-1-15N-carbonitrile-13C, 1-[2-[[(5R,7S)-3-hydroxytricyclo[3.3.1.13,7]dec-1-yl]amino]acetyl]-, (2S)- [ACD/Index Name]
1044741-01-6 [RN]

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: 1.601
Molar Refractivity: 81.7±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: 32.4±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 238.3±5.0 cm3

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