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Search term: NELYIRACPIJATH-SZVQBCOZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-amino-1-[2,5-anhydro-4-(hydroxymethyl)-alpha-L-lyxofuranosyl]-5-methylcytosine | C11H15N3O5

4-amino-1-[2,5-anhydro-4-(hydroxymethyl)-α-L-lyxofuranosyl]-5-methylcytosine

  • Molecular FormulaC11H15N3O5
  • Average mass269.254 Da
  • Monoisotopic mass269.101166 Da
  • ChemSpider ID26325637

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[2,5-anhydro-4-C-(hydroxymethyl)-α-L-lyxofuranosyl]-5-methyl- [ACD/Index Name]
4-Amino-1-[2,5-anhydro-4-(hydroxymethyl)-α-L-lyxofuranosyl]-5-methyl-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[2,5-anhydro-4-(hydroxymethyl)-α-L-lyxofuranosyl]-5-methyl-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[2,5-anhydro-4-(hydroxyméthyl)-α-L-lyxofuranosyl]-5-méthyl-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-amino-1-[2,5-anhydro-4-(hydroxymethyl)-α-L-lyxofuranosyl]-5-methylcytosine
1-[(1S,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylcytosine
4-AMINO-1-[(1S,3R,4R,7S)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABICYCLO[2.2.1]HEPT-3-YL]-5-METHYLPYRIMIDIN-2(1H)-ONE
4-amino-1-[2,5-anhydro-4-(hydroxymethyl)-α-L-lyxofuranosyl]-5-methylpyrimidin-2(1H)-one
5-Methyl-2'-O,4'-C-methylenecytidine
847650-87-7 [RN]
  • Miscellaneous

    • Chemical Class:

      A pyrimidine nucleoside derived from the formal condensation of the <element>N</element><smallsup>1</smallsup>-nitrogen of 4-amino-5-methylcytosine with 2,5-anhydro-4-(hydroxymethyl)-<stereo>alpha</st ereo>-<stereo>L</stereo>-lyxofuranose. ChEBI CHEBI:43697
      A pyrimidine nucleoside derived from the formal condensation of the N(1)-nitrogen of 4-amino-5-methylcytosine with 2,5-anhydro-4-(hydroxymethyl)-alpha-L-lyxofuranose. ChEBI CHEBI:43697

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

Density: 1.8±0.1 g/cm3
Boiling Point: 526.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.2±6.0 kJ/mol
Flash Point: 272.4±32.9 °C
Index of Refraction: 1.763
Molar Refractivity: 60.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.29
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.70
Polar Surface Area: 118 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 81.7±7.0 dyne/cm
Molar Volume: 145.8±7.0 cm3

Click to predict properties on the Chemicalize site


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