C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CAS: 56-65-5
Nombre: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N

Molecular Processing

Molecular formula
C10H16N5O13P3
Molecular weight
507.18
Exact mass
506.9957
XLogP
-1.63
TPSA
279.13
H-bond donors
7
H-bond acceptors
13
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
21
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
95.48

Supplementary Information

InChIKey: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
Sinónimos
Adenosine triphosphate56-65-5TriphosphadenMyotriphosTriadenylGlucobasinAdetolAdynolAtipiAdephosAdenosine 5'-(tetrahydrogen triphosphate)Adenylpyrophosphoric acid5'-AtpAdenosine 5'-triphosphoric acidTriphosphoric acid adenosine esterDTXSID6022559adenosine 5' triphosphateadenylpyrophosphate8L70Q75FXECHEBI:15422DTXCID302559[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphateChromium Adenosine TriphosphateMagnesium Adenosine TriphosphateCaATPCrATP(((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) phosphono hydrogen phosphateATP MgCl2ATP-MgCl2RefChem:553011
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