Found 1 result

Search term: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)C[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | ApCpp | C11H18N5O12P3

ApCpp

  • Molecular FormulaC11H18N5O12P3
  • Average mass505.208 Da
  • Monoisotopic mass505.016479 Da
  • ChemSpider ID82670

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(?,?-methylene)adenosine 5'-triphosphate
230-723-9 [EINECS]
5'-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)adenosin [German] [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)adenosine [ACD/IUPAC Name]
5'-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]méthyl}phosphoryl)adénosine [French] [ACD/IUPAC Name]
7292-42-4 [RN]
Adenosine, 5'-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]methyl]phosphinyl]- [ACD/Index Name]
ApCpp
&α;&β;-meATP
&α;&β;-methylene-adenosine 5'-triphosphate
More...

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

NYX13NT29D [DBID]
AIDS222062 [DBID]
AIDS-222062 [DBID]
C13740 [DBID]
UNII:NYX13NT29D [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): -10.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.60
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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