ChemSpider 2D Image | 4-Amino-1-[(2xi)-beta-D-threo-pentofuranosyl]-1,3,5-triazin-2(1H)-one | C8H12N4O5

4-Amino-1-[(2ξ)-β-D-threo-pentofuranosyl]-1,3,5-triazin-2(1H)-one

  • Molecular FormulaC8H12N4O5
  • Average mass244.205 Da
  • Monoisotopic mass244.080765 Da
  • ChemSpider ID23935311

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1,3,5-Triazin-2(1H)-one, 4-amino-1-[(2ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
4-Amino-1-[(2ξ)-β-D-threo-pentofuranosyl]-1,3,5-triazin-2(1H)-on [German] [ACD/IUPAC Name]
4-Amino-1-[(2ξ)-β-D-threo-pentofuranosyl]-1,3,5-triazin-2(1H)-one [ACD/IUPAC Name]
4-Amino-1-[(2ξ)-β-D-thréo-pentofuranosyl]-1,3,5-triazin-2(1H)-one [French] [ACD/IUPAC Name]
[320-67-2] [RN]
4-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
5-Azacytidine
5-Azacytidine|Azacitidine, 5-AzaC|Vidaza
MFCD00006539 [MDL number]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 534.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.2±6.0 kJ/mol
Flash Point: 277.0±32.9 °C
Index of Refraction: 1.823
Molar Refractivity: 51.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.99
ACD/LogD (pH 5.5): -2.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.32
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.33
Polar Surface Area: 141 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 106.8±7.0 dyne/cm
Molar Volume: 117.1±7.0 cm3

Click to predict properties on the Chemicalize site


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