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Search term: InChIKey=CXKOHPQQIHCMSO-IOSLPCCCSA-L (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-Methyl-2-(methylsulfanyl)adenosine 5'-(dihydrogen phosphate) | C12H18N5O7PS

N-Methyl-2-(methylsulfanyl)adenosine 5'-(dihydrogen phosphate)

  • Molecular FormulaC12H18N5O7PS
  • Average mass407.339 Da
  • Monoisotopic mass407.066467 Da
  • ChemSpider ID34244203
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Adenosine, N-methyl-2-(methylthio)-, 5'-(dihydrogen phosphate) [ACD/Index Name]
N-Methyl-2-(methylsulfanyl)adenosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
N-Methyl-2-(methylsulfanyl)adenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
N-Méthyl-2-(méthylsulfanyl)adénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 835.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 459.1±37.1 °C
Index of Refraction: 1.815
Molar Refractivity: 87.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -4.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 99.8±7.0 dyne/cm
Molar Volume: 202.5±7.0 cm3

Click to predict properties on the Chemicalize site






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