ChemSpider 2D Image | N-(4-Hydroxy-3-methyl-2-buten-1-yl)adenosine | C15H21N5O5

N-(4-Hydroxy-3-methyl-2-buten-1-yl)adenosine

  • Molecular FormulaC15H21N5O5
  • Average mass351.358 Da
  • Monoisotopic mass351.154266 Da
  • ChemSpider ID34999908

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

28542-78-1 [RN]
Adenosine, N-[(2Z)-4-hydroxy-3-methyl-2-buten-1-yl]- [ACD/Index Name]
N-(4-Hydroxy-3-methyl-2-buten-1-yl)adenosine
N-[(2Z)-4-Hydroxy-3-methyl-2-buten-1-yl]adenosin [German] [ACD/IUPAC Name]
N-[(2Z)-4-Hydroxy-3-methyl-2-buten-1-yl]adenosine [ACD/IUPAC Name]
N-[(2Z)-4-Hydroxy-3-méthyl-2-butén-1-yl]adénosine [French] [ACD/IUPAC Name]
(2R,3R,4S,5R)-2-(6-((4-Hydroxy-3-methylbut-2-en-1-yl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
6025-53-2 [RN]
9-ribosylzeatin
MFCD00036809 [MDL number]
More...
  • Miscellaneous

    • Chemical Class:

      An <element>N</element>-glycosylzeatin that is zeatin in which the hydrogen attached to the nitrogen at position 9 of the adenine moiety is replaced by a <stereo>beta</stereo>-<stereo>D</stereo>-ribof uranosyl group. ChEBI CHEBI:20838
      An N-glycosylzeatin that is zeatin in which the hydrogen attached to the nitrogen at position 9 of the adenine moiety is replaced by a beta-D-ribofuranosyl group. ChEBI CHEBI:20838

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

Density: 1.6±0.1 g/cm3
Boiling Point: 731.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.4±35.7 °C
Index of Refraction: 1.728
Molar Refractivity: 84.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.99
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.10
Polar Surface Area: 146 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 70.4±7.0 dyne/cm
Molar Volume: 212.9±7.0 cm3

Click to predict properties on the Chemicalize site


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