ChemSpider 2D Image | L-??-meATP | C11H18N5O12P3

L-??-meATP

  • Molecular FormulaC11H18N5O12P3
  • Average mass505.208 Da
  • Monoisotopic mass505.016479 Da
  • ChemSpider ID82651
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3469-78-1 [RN]
5'-O-(Hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)adenosin [German] [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)adenosine [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(phosphonométhyl)phosphoryl]oxy}phosphoryl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy[[hydroxy(phosphonomethyl)phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
β,γ-Methylene ATP
L-??-meATP
&β;&γ;-methylene-adenosine 5'-triphosphate
({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}methyl)phosphonic acid
222-435-7 [EINECS]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS222063 [DBID]
AIDS-222063 [DBID]
C13741 [DBID]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 968.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.7±3.0 kJ/mol
Flash Point: 539.3±37.1 °C
Index of Refraction: 1.887
Molar Refractivity: 93.0±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.87
ACD/LogD (pH 5.5): -10.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 299 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 180.7±7.0 dyne/cm
Molar Volume: 202.0±7.0 cm3

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