ChemSpider 2D Image | 2-[(3-Aminopropyl)sulfanyl]adenosine 5'-(trihydrogen diphosphate) | C13H22N6O10P2S

2-[(3-Aminopropyl)sulfanyl]adenosine 5'-(trihydrogen diphosphate)

  • Molecular FormulaC13H22N6O10P2S
  • Average mass516.360 Da
  • Monoisotopic mass516.059326 Da
  • ChemSpider ID169038

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[(3-Aminopropyl)sulfanyl]adenosin5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
2-[(3-Aminopropyl)sulfanyl]adenosine 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
2-[(3-Aminopropyl)sulfanyl]adénosine-5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]
Adenosine, 2-[(3-aminopropyl)thio]-, 5'-(trihydrogen diphosphate) [ACD/Index Name]
((2R,3S,4R,5R)-5-(6-Amino-2-((3-aminopropyl)thio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
110224-45-8 [RN]
2-((3-aminopropyl)thio)adenosine 5'-diphosphate
2-((3-Aminopropyl)thio)adenosine-ADP
2-Apta-ADP

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

Density: 2.2±0.1 g/cm3
Boiling Point: 948.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.7±3.0 kJ/mol
Flash Point: 527.6±37.1 °C
Index of Refraction: 1.855
Molar Refractivity: 103.4±0.5 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.53
ACD/LogD (pH 5.5): -7.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 304 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 138.8±7.0 dyne/cm
Molar Volume: 230.4±7.0 cm3

Click to predict properties on the Chemicalize site


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