ChemSpider 2D Image | 3'-C-Methyladenosine 5'-(trihydrogen diphosphate) | C11H17N5O10P2

3'-C-Methyladenosine 5'-(trihydrogen diphosphate)

  • Molecular FormulaC11H17N5O10P2
  • Average mass441.228 Da
  • Monoisotopic mass441.045074 Da
  • ChemSpider ID58807883

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3'-C-Methyladenosin5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
3'-C-Methyladenosine 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
3'-C-Méthyladénosine-5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]
Adenosine, 3'-C-methyl-, 5'-(trihydrogen diphosphate) [ACD/Index Name]
((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxy-3-methyltetrahydrofuran-2-yl)methyl trihydrogen diphosphate
148253-84-3 [RN]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 847.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.0±3.0 kJ/mol
Flash Point: 466.2±37.1 °C
Index of Refraction: 1.839
Molar Refractivity: 84.8±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.37
ACD/LogD (pH 5.5): -8.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 252 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 144.5±7.0 dyne/cm
Molar Volume: 191.6±7.0 cm3

Click to predict properties on the Chemicalize site


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