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Search term: InChIKey=DUISZFLWBAPRBR-SDBHATRESA-L (Found by InChIKey (full match))

ChemSpider 2D Image | N-(3-Methyl-2-buten-1-yl)-5'-O-phosphonatoadenosine | C15H20N5O7P


  • Molecular FormulaC15H20N5O7P
  • Average mass413.323 Da
  • Monoisotopic mass413.111145 Da
  • ChemSpider ID26330816
  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Adenosine, N-(3-methyl-2-buten-1-yl)-, 5'-(dihydrogen phosphate), ion(2-) [ACD/Index Name]
N-(3-Methyl-2-buten-1-yl)-5'-O-phosphonatoadenosin [German] [ACD/IUPAC Name]
N-(3-Methyl-2-buten-1-yl)-5'-O-phosphonatoadenosine [ACD/IUPAC Name]
N-(3-Méthyl-2-butén-1-yl)-5'-O-phosphonatoadénosine [French] [ACD/IUPAC Name]
N(6)-(dimethylallyl)adenosine 5'-phosphate
N(6)-(dimethylallyl)adenosine 5'-phosphate dianion
N(6)-(dimethylallyl)adenosine 5'-phosphate(2-)

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

Boiling Point: 758.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 412.8±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Surface Tension:
Molar Volume:

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