ChemSpider 2D Image | (2S)-Amino[(4R)-6-hydroxy-2-iminohexahydro-4-pyrimidinyl]acetic acid | C6H12N4O3

(2S)-Amino[(4R)-6-hydroxy-2-iminohexahydro-4-pyrimidinyl]acetic acid

  • Molecular FormulaC6H12N4O3
  • Average mass188.184 Da
  • Monoisotopic mass188.090942 Da
  • ChemSpider ID61708055

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S)-Amino[(4R)-6-hydroxy-2-iminohexahydro-4-pyrimidinyl]acetic acid [ACD/IUPAC Name]
(2S)-Amino[(4R)-6-hydroxy-2-iminohexahydro-4-pyrimidinyl]essigsäure [German] [ACD/IUPAC Name]
4-Pyrimidineacetic acid, α-aminohexahydro-6-hydroxy-2-imino-, (αS,4R)- [ACD/Index Name]
Acide (2S)-amino[(4R)-6-hydroxy-2-iminohexahydro-4-pyrimidinyl]acétique [French] [ACD/IUPAC Name]
2089587-08-4 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 409.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±6.0 kJ/mol
Flash Point: 201.5±31.5 °C
Index of Refraction: 1.782
Molar Refractivity: 40.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -5.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 100.2±7.0 dyne/cm
Molar Volume: 95.5±7.0 cm3

Click to predict properties on the Chemicalize site


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