[(1S,2R,3S,4S,5R,6S)-3,4-bis(dihydroxyphosphinothioyloxy)-2,5,6-trihydroxycyclohexyl]oxy-sulfanylphosphinic acid
Basic information
- CAS
113596-09-1- Standard SMILES
O[C@@H]1[C@H](O)[C@H](OP(O)(O)=S)[C@@H](O)[C@H](OP(O)(O)=S)[C@H]1OP(O)(O)=S- InChIKey
BZIDQHFQSPKXER-HOZKJCLWSA-N- Molecular formula
- C6H15O12P3S3
- Average molar mass
- 468.3 g/mol
- Monoisotopic mass
- 467.89385042
Names & identifiers
- Preferred name
- [(1S,2R,3S,4S,5R,6S)-3,4-bis(dihydroxyphosphinothioyloxy)-2,5,6-trihydroxycyclohexyl]oxy-sulfanylphosphinic acid
- IUPAC
- (1R,2S,3S,4R,5S,6S)-3,5,6-tris(dihydroxyphosphinothioyloxy)cyclohexane-1,2,4-triol
Names & synonyms
113596-09-1[(1S,2R,3S,4S,5R,6S)-3,4-bis(dihydroxyphosphinothioyloxy)-2,5,6-trihydroxycyclohexyl]oxy-sulfanylphosphinic acidSCHEMBL8460802DTXSID80921123(1R,2S,3S,4R,5S,6S)-3,5,6-tris(dihydroxyphosphinothioyloxy)cyclohexane-1,2,4-triolO,O',O''-(3,5,6-Trihydroxycyclohexane-1,2,4-triyl) tris[dihydrogen (phosphorothioate)]O,O',O''-[(1S,2S,3R,4S,5S,6R)-3,5,6-Trihydroxycyclohexane-1,2,4-triyl] tris[dihydrogen (phosphorothioate)]
Database identifiers
- CAS
113596-09-1- PubChem CID
- 10367341
- DTXSID
DTXSID80921123
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 306 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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