ChemSpider 2D Image | (2S,3S)-5-Carbamimidamido-2-(2-oxo-1-azetidinyl)(2,3-~2~H_2_)pentanoic acid | C9H14D2N4O3

(2S,3S)-5-Carbamimidamido-2-(2-oxo-1-azetidinyl)(2,3-2H2)pentanoic acid

  • Molecular FormulaC9H14D2N4O3
  • Average mass230.261 Da
  • Monoisotopic mass230.134796 Da
  • ChemSpider ID30904172

  • 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

(2S,3S)-5-Carbamimidamido-2-(2-oxo-1-azetidinyl)(2,3-2H2)pentanoic acid [ACD/IUPAC Name]
(2S,3S)-5-Carbamimidamido-2-(2-oxo-1-azetidinyl)(2,3-2H2)pentansäure [German] [ACD/IUPAC Name]
1-Azetidineacetic-d acid, α-[(1S)-3-[(aminoiminomethyl)amino]propyl-1-d]-2-oxo-, (αS)- [ACD/Index Name]
Acide (2S,3S)-5-carbamimidamido-2-(2-oxo-1-azétidinyl)(2,3-2H2)pentanoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 506.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.0±6.0 kJ/mol
Flash Point: 260.1±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 54.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.09
ACD/LogD (pH 5.5): -4.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 69.1±7.0 dyne/cm
Molar Volume: 149.9±7.0 cm3

Click to predict properties on the Chemicalize site


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