Xylomollin
Basic information
- CAS
61229-34-3- Standard SMILES
COC(=O)C1C(OC)OC(O)C2C(C)OC(=O)CC12- InChIKey
IYOMTPNHJRSLSB-UHFFFAOYSA-N- Molecular formula
- C12H18O7
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.10525291
Overview
See also: Xylomollin (annotation moved to).
Names & identifiers
- Preferred name
- Xylomollin
- IUPAC
- methyl 1-hydroxy-3-methoxy-8-methyl-6-oxo-3,4,4a,5,8,8a-hexahydro-1H-pyrano[3,4-c]pyran-4-carboxylate
Names & synonyms
Xylomollin61229-34-3methyl 1-hydroxy-3-methoxy-8-methyl-6-oxo-3,4,4a,5,8,8a-hexahydro-1H-pyrano[3,4-c]pyran-4-carboxylateorb1694788DTXSID80976739NSC280415AKOS040754481NSC-280415T35202Methyl 1-hydroxy-3-methoxy-8-methyl-6-oxohexahydro-1H,3H-pyrano[3,4-c]pyran-4-carboxylate
Database identifiers
- CAS
61229-34-3- PubChem CID
- 322491
- DTXSID
DTXSID80976739
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
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Related reactions
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Compound notes
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