Basic information
- CAS
120151-99-7- Standard SMILES
Cc1ncc(COP(=O)(O)O)c(C=NCCSCCNc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)c1O- InChIKey
UNZWIPPZCSNPQR-CIVUBGFFSA-N- Molecular formula
- C22H30N7O9PS
- Average molar mass
- 599.6 g/mol
- Monoisotopic mass
- 599.15633373
Names & identifiers
- Preferred name
- Adtepp
- IUPAC
- [4-[2-[2-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylsulfanyl]ethyliminomethyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate
- English name
- adenosine-N(6)-diethylthioether-N'-pyridoximine 5'-phosphate
- Molecular formula
- C22H30N7O9PS
- Molecular weight
- 599.55
Names & synonyms
Adtepp120151-99-7Adenosine-N(6)-diethylthioether-N'-pyridoximine 5'-phosphate[4-[2-[2-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylsulfanyl]ethyliminomethyl]-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphateAdenosine, N-(2-((2-(((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methylene)amino)ethyl)thio)ethyl)-Adenosine, N-[2-[[2-[[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]amino]ethyl]thio]ethyl]-Adenosine, N-[2-[[2-[[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]amino]ethyl]thio]ethyl]- (9CI)
Database identifiers
- CAS
120151-99-7- PubChem CID
- 129059
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 263 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 878
Chemistry & industry
Suppliers1 total
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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