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Search term: InChIKey=XBXAAXAANNIENQ-SDBHATRESA-L (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-methylthio-N(6)-dimethylallyladenine 5'-monophosphate | C16H24N5O7PS

2-methylthio-N(6)-dimethylallyladenine 5'-monophosphate

  • Molecular FormulaC16H24N5O7PS
  • Average mass461.430 Da
  • Monoisotopic mass461.113403 Da
  • ChemSpider ID29368376
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2-methylthio-N(6)-dimethylallyladenine 5'-monophosphate
Adenosine, N-(3-methyl-2-buten-1-yl)-2-(methylthio)-, 5'-(dihydrogen phosphate) [ACD/Index Name]
N-(3-Methyl-2-buten-1-yl)-2-(methylsulfanyl)adenosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
N-(3-Methyl-2-buten-1-yl)-2-(methylsulfanyl)adenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
N-(3-Méthyl-2-butén-1-yl)-2-(méthylsulfanyl)adénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
2-methylthio-N(6)-(δ(2)-isopentenyl)-5'-adenylic acid
2-methylthio-N(6)-(δ(2)-isopentenyl)adenosine 5'-monophosphate
2-methylthio-N(6)-dimethylallyl 5'-adenylic acid
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:74646
N-(3-methylbut-2-en-1-yl)-2-(methylsulfanyl)adenosine 5'-(dihydrogen phosphate)
  • Miscellaneous
    • Chemical Class:

      A purine ribonucleoside 5'-monophosphate that is AMP substituted at C-2 by a methylthio group and at N-6 by a dimethylallyl group. ChEBI CHEBI:74646

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 823.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 451.6±37.1 °C
Index of Refraction: 1.729
Molar Refractivity: 106.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.91
ACD/LogD (pH 5.5): -3.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 76.8±7.0 dyne/cm
Molar Volume: 265.8±7.0 cm3

Click to predict properties on the Chemicalize site






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