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

ChemSpider 2D Image | 5-(beta-D-glucosylmethyl)cytosine | C11H17N3O7

5-(β-D-glucosylmethyl)cytosine

  • Molecular FormulaC11H17N3O7
  • Average mass303.269 Da
  • Monoisotopic mass303.106659 Da
  • ChemSpider ID58163463
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(4-Amino-2-oxo-1,2-dihydro-5-pyrimidinyl)methyl β-D-glucopyranoside [ACD/IUPAC Name]
(4-Amino-2-oxo-1,2-dihydro-5-pyrimidinyl)methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 4-amino-5-[(β-D-glucopyranosyloxy)methyl]- [ACD/Index Name]
5-(β-D-glucosylmethyl)cytosine
β-D-Glucopyranoside de (4-amino-2-oxo-1,2-dihydro-5-pyrimidinyl)méthyle [French] [ACD/IUPAC Name]
(4-amino-2-oxo-1,2-dihydropyrimidin-5-yl)methyl β-D-glucopyranoside
5-glucosylmethylcytosine
5-gmC
5-β-D-glucosylmethylcytosine
β-D-glucosyl-5-hydroxymethylcytosine
More...
  • Miscellaneous
    • Chemical Class:

      A <stereo>beta</stereo>-<stereo>D</stereo>-glucoside derived from formal condensation of the hydroxy group of 5-(hydroxymethyl)cytosine with the anomeric hydroxy group of <stereo>D</stereo>-glucopyran ose. ChEBI CHEBI:131616
      A beta-D-glucoside derived from formal condensation of the hydroxy group of 5-(hydroxymethyl)cytosine with the anomeric hydroxy group of D-glucopyranose. ChEBI CHEBI:131616

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.730
Molar Refractivity: 63.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -4.05
ACD/LogD (pH 5.5): -3.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 86.5±7.0 dyne/cm
Molar Volume: 158.3±7.0 cm3

Click to predict properties on the Chemicalize site






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