ChemSpider 2D Image | 2'-C-Methyladenosine 5'-(tetrahydrogen triphosphate) | C11H18N5O13P3

2'-C-Methyladenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC11H18N5O13P3
  • Average mass521.208 Da
  • Monoisotopic mass521.011414 Da
  • ChemSpider ID2275940

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2'-C-Methyladenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
2'-C-Methyladenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
2'-C-Méthyladénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 2'-C-methyl-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
({[({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
2'-C-Methyl-adenosine triphosphate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL374931/

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

AIDS163189 [DBID]
AIDS-163189 [DBID]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 923.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.7±3.0 kJ/mol
Flash Point: 512.2±37.1 °C
Index of Refraction: 1.845
Molar Refractivity: 94.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.64
ACD/LogD (pH 5.5): -10.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 168.4±7.0 dyne/cm
Molar Volume: 212.9±7.0 cm3

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