Basic information
- CAS
158700-26-6- Standard SMILES
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O- InChIKey
QCICUPZZLIQAPA-UHFFFAOYSA-N- Molecular formula
- C20H27N10O16P3
- Average molar mass
- 756.4 g/mol
- Monoisotopic mass
- 756.0819358
Names & identifiers
- Preferred name
- AC1L1Agt
- IUPAC
- bis[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Names & synonyms
AC1L1AGT158700-26-6DTXSID50274294RefChem:313834DTXCID80225774AP3A-lyophilizedAdenosine-(5')-triphospho-(5')-adenosinebis[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphateQCICUPZZLIQAPA-UHFFFAOYSA-NAdenosine 5'-(tetrahydrogen triphosphate), P''->5'-ester with adenosine
Database identifiers
- CAS
158700-26-6- PubChem CID
- 982
- DTXSID
DTXSID50274294
Properties
Computed structural properties
- XLogP
- -7.2
- Topological polar surface area
- 387 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 12
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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