ChemSpider 2D Image | (2S)-Ammonio[(4R)-2-ammonio-1,4,5,6-tetrahydro-4-pyrimidinyl]acetate | C6H13N4O2

(2S)-Ammonio[(4R)-2-ammonio-1,4,5,6-tetrahydro-4-pyrimidinyl]acetate

  • Molecular FormulaC6H13N4O2
  • Average mass173.193 Da
  • Monoisotopic mass173.103302 Da
  • ChemSpider ID30785668

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-Ammonio[(4R)-2-ammonio-1,4,5,6-tetrahydro-4-pyrimidinyl]acetat [German] [ACD/IUPAC Name]
(2S)-Ammonio[(4R)-2-ammonio-1,4,5,6-tetrahydro-4-pyrimidinyl]acetate [ACD/IUPAC Name]
(2S)-Ammonio[(4R)-2-ammonio-1,4,5,6-tétrahydro-4-pyrimidinyl]acétate [French] [ACD/IUPAC Name]
4-Pyrimidineacetic acid, α-aminohexahydro-2-imino-, inner salt, conjugate acid, (αS,4R)- [ACD/Index Name]
(2S)-azaniumyl[(4R)-2-iminiohexahydropyrimidin-4-yl]acetate
(2S,3R)-capreomycidine
(2S,3R)-capreomycidine(1+)
  • Miscellaneous

    • Chemical Class:

      An alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of (2S,3R)-capreomycidine. ChEBI CHEBI:75665
      An alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of (2S,3R)-capreomycidine; . ChEBI CHEBI:75665

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

Density:
Boiling Point: 341.1±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.3±6.0 kJ/mol
Flash Point: 160.1±29.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -4.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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