Methyl 3,4-o-cyclohexane-1,1-diyl-2-deoxypentopyranoside
Basic information
- CAS
30545-66-5- Standard SMILES
COC1CC2OC3(CCCCC3)OC2CO1- InChIKey
GNHPQQIRKCZYCY-UHFFFAOYSA-N- Molecular formula
- C12H20O4
- Average molar mass
- 228.28 g/mol
- Monoisotopic mass
- 228.13615911
Names & identifiers
- Preferred name
- Methyl 3,4-o-cyclohexane-1,1-diyl-2-deoxypentopyranoside
- IUPAC
- 6-methoxyspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
Names & synonyms
30545-66-5methyl 3,4-o-cyclohexane-1,1-diyl-2-deoxypentopyranosideNSC123441DTXSID50952843NSC-123441Methyl 3,4-O-(cyclohexane-1,1-diyl)-2-deoxypentopyranoside
Database identifiers
- CAS
30545-66-5- PubChem CID
- 276162
- DTXSID
DTXSID50952843
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
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Compound notes
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