ATP(3-)
AlkaPlorer ID: AK011642
Synonym: 'ATP(3-)', 'ATP(4-)', "ADENOSINE-5'-TRIPHOSPHATE", "Adenosine 5'-triphosphate", 'atp', 'ATP', 'Adenosine triphosphate', 'H4atp'
IUPAC Name: [[(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Structure
SMILES: NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
InChI: InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10+/m1/s1
InChIKey: ZKHQWZAMYRWXGA-CRKDRTNXSA-N
Source
Properties Information
Molecule Weight: 507.1820000000001
TPSA？: 279.13
MolLogP？: -1.629000000000001
Number of H-Donors: 7
Number of H-Acceptors: 14
RingCount: 3
Activities Information
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