Found 12 results

Search term: JTEGQNOMFQHVDC (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 4-Amino-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone | C8H11N3O3S

4-Amino-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone

  • Molecular FormulaC8H11N3O3S
  • Average mass229.256 Da
  • Monoisotopic mass229.052109 Da
  • ChemSpider ID26943897
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

2(1H)-Pyrimidinone, 4-amino-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]- [ACD/Index Name]
4-Amino-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(2R,5R)-2-(hydroxyméthyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
(1R)-4-amino-1-[(2R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
tert-Butyl 4-chloropiperidine-1-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 475.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.2±6.0 kJ/mol
Flash Point: 241.3±31.5 °C
Index of Refraction: 1.755
Molar Refractivity: 54.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.64
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.94
Polar Surface Area: 113 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 79.3±7.0 dyne/cm
Molar Volume: 132.2±7.0 cm3

Click to predict properties on the Chemicalize site






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