Basic information
- CAS
41486-94-6- Standard SMILES
O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(SSc4ncnc5c4ncn5[C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]4O)ncnc32)[C@H](O)[C@@H]1O- InChIKey
OFAXUOVYBSQQIJ-XPWFQUROSA-N- Molecular formula
- C20H28N8O26P6S2
- Average molar mass
- 1,046.5 g/mol
- Monoisotopic mass
- 1,045.8981874
Overview
substrate for Na K ATPase
Names & identifiers
- Preferred name
- Thioinosine triphosphate disulfide
- IUPAC
- [[(2R,3S,4R,5R)-5-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- English name
- thioinosine triphosphate disulfide
- Molecular weight
- 0
Names & synonyms
Thioinosine triphosphate disulfide(Snoppp)241486-94-6DTXSID00194377RefChem:189545DTXCID101168689H-Purine, 6,6'-dithiobis(9-(5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-ribofuranosyl)-[[(2R,3S,4R,5R)-5-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphateTHIOINOSINE TRIPHOSPHONATE DISULFIDEADENINE 9-b-D-ARABINOFURANOSIDE 5'TRIPHOSPHATE SODIUM SALT
Database identifiers
- CAS
41486-94-6- PubChem CID
- 3082540
- DTXSID
DTXSID00194377
Properties
Computed structural properties
- XLogP
- -9.9
- Topological polar surface area
- 557 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 34
- Rotatable bonds
- 19
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,770
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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