Found 1 result

Search term: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N (Found by conversion of search term to chemical structure (full match))
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
[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid
More...

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, version: 14.00

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

Click to predict properties on the Chemicalize site


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