ChemSpider 2D Image | 4-Amino-1-[(2R,3R,4S)-3,4-dihydroxy-5,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-2(1H)-pyrimidinone | C10H15N3O6

4-Amino-1-[(2R,3R,4S)-3,4-dihydroxy-5,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-2(1H)-pyrimidinone

  • Molecular FormulaC10H15N3O6
  • Average mass273.243 Da
  • Monoisotopic mass273.096100 Da
  • ChemSpider ID19556163

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Amino-1-[(2R,3R,4S)-3,4-dihydroxy-5,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[(2R,3R,4S)-3,4-dihydroxy-5,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(2R,3R,4S)-3,4-dihydroxy-5,5-bis(hydroxyméthyl)tétrahydro-2-furanyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-amino-1-[(2R,3R,4S)-3,4-dihydroxy-5,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one (non-preferred name)
4-amino-1-((2R,3R,4S)-3,4-dihydroxy-5,5-bis(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
4'-hydroxymethyl-cytidine
68707-89-1 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL393859/

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

Density: 1.9±0.1 g/cm3
Boiling Point: 596.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.0±6.0 kJ/mol
Flash Point: 314.8±32.9 °C
Index of Refraction: 1.728
Molar Refractivity: 58.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.69
ACD/LogD (pH 7.4): -2.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 149 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 90.7±7.0 dyne/cm
Molar Volume: 147.2±7.0 cm3

Click to predict properties on the Chemicalize site


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