7-Chlorodeutziol
Basic information
- CAS
83889-82-1- Standard SMILES
C[C@]1(O)[C@H](O)[C@@H](O)[C@@H](OC2OC=C[C@@H]3CC[C@@H](O)[C@@H]23)O[C@]1(O)[C@H](O)Cl- InChIKey
AYQKGMROTKDMDX-AWWIYYALSA-N- Molecular formula
- C15H23ClO9
- Average molar mass
- 382.79 g/mol
- Monoisotopic mass
- 382.10306
Names & identifiers
- Preferred name
- 7-Chlorodeutziol
- IUPAC
- (2S,3S,4R,5R,6S)-6-[[(4aS,7R,7aS)-7-hydroxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-2-[(R)-chloro(hydroxy)methyl]-3-methyloxane-2,3,4,5-tetrol
Names & synonyms
7-Chlorodeutziol83889-82-1beta-D-Glucopyranoside, (1S,4aS,5S,6R,7R,7aS)-6-chloro-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-4-methylcyclopenta(c)pyran-1-ylRefChem:105952
Database identifiers
- CAS
83889-82-1- PubChem CID
- 158586
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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