ChemSpider 2D Image | [[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate | C20H27N10O16P3

[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate

  • Molecular FormulaC20H27N10O16P3
  • Average mass756.407 Da
  • Monoisotopic mass756.081909 Da
  • ChemSpider ID957

More details:

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

158700-26-6 [RN]
5'Ap3A
AC1L1AGT
adenosine 5'-(tetrahydrogen triphosphate), P"-5'-ester with adenosine
adenosine(5')triphospho(5')adenosine
ADENOSINE5TRIPHOSPHO5ADENOSINE
P1,P3-bis(5'-adenosyl)triphosphate
P1P3-BIS5-ADENOSYLTRIPHOSPHATE

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1192.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 185.2±3.0 kJ/mol
Flash Point: 675.2±37.1 °C
Index of Refraction: 1.976
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 26
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.84
ACD/LogD (pH 5.5): -10.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 417 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 175.9±7.0 dyne/cm
Molar Volume: 298.6±7.0 cm3

Click to predict properties on the Chemicalize site


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