Basic information
- CAS
111136-25-5- Standard SMILES
OCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
PJPGMULJEYSZBS-VZFHVOOUSA-N- Molecular formula
- C7H12O5
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.06847348
Overview
Streptol is a cyclitol.
Names & identifiers
- Preferred name
- Streptol, (+)-
- IUPAC
- (1S,2S,3S,4R)-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
Names & synonyms
StreptolValienol(1S,2S,3S,4R)-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrolStreptol, (+)-DTXSID50415342J5344DZ89SRefChem:536249DTXCID003661935-HYDROXYMETHYL-CHONDURITOL111136-25-55-Cyclohexene-1,2,3,4-tetrol, 5-(hydroxymethyl)-, (1S,2S,3S,4R)-(+)-Streptol
Show more names
CHEMBL1233349SCHEMBL28444579CHEBI:213344DB03092NS00070658Q7911688(1S,2S,3S,4R)-5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol5-Cyclohexene-1,2,3,4-tetrol, 5-(hydroxymethyl)-, [1S-(1alpha,2alpha,3beta,4alpha)]-
Database identifiers
- CAS
111136-25-5- PubChem CID
- 5288564
- DTXSID
DTXSID50415342- ChEMBL
CHEMBL1233349- ChEBI
CHEBI:213344- UNII
- J5344DZ89S
- Nikkaji
- J1.316.242E
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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