Found 4 results

Search term: QBTQEFMFFFMOJH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4R,6S)-2-Oxo-6-(sulfanylmethyl)hexahydro-4-pyrimidinecarboxylic acid | C6H10N2O3S

(4R,6S)-2-Oxo-6-(sulfanylmethyl)hexahydro-4-pyrimidinecarboxylic acid

  • Molecular FormulaC6H10N2O3S
  • Average mass190.220 Da
  • Monoisotopic mass190.041214 Da
  • ChemSpider ID61677654

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,6S)-2-Oxo-6-(sulfanylmethyl)hexahydro-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
(4R,6S)-2-Oxo-6-(sulfanylmethyl)hexahydro-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
4-Pyrimidinecarboxylic acid, hexahydro-6-(mercaptomethyl)-2-oxo-, (4R,6S)- [ACD/Index Name]
Acide (4R,6S)-2-oxo-6-(sulfanylméthyl)hexahydro-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
114132-84-2 [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: 564.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.6±6.0 kJ/mol
Flash Point: 294.9±25.9 °C
Index of Refraction: 1.530
Molar Refractivity: 44.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 142.4±3.0 cm3

Click to predict properties on the Chemicalize site


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