26-Deoxymonensin B
Basic information
- CAS
155539-11-0- Standard SMILES
COC(C(C)C(=O)O)C(C)C1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4C)O3)O2)CC(O)C1C- InChIKey
OGZYZDKLKKGFPQ-UHFFFAOYSA-N- Molecular formula
- C35H60O10
- Average molar mass
- 640.8 g/mol
- Monoisotopic mass
- 640.41864811
Overview
26-Deoxymonensin B has been reported in Streptomyces cinnamonensis with data available.
Names & identifiers
- Preferred name
- 26-Deoxymonensin B
- IUPAC
- 4-[7-hydroxy-2-[5-[5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
- English name
- 26-deoxymonensin B
- Molecular formula
- C35H60O10
- Molecular weight
- 640.86
Names & synonyms
26-Deoxymonensin B155539-11-04-[7-hydroxy-2-[5-[5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid4-(7-hydroxy-2-(5-(5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-3-methyloxolan-2-yl)-5-methyloxolan-2-yl)-2,8-dimethyl-1,10-dioxaspiro(4.5)decan-9-yl)-3-methoxy-2-methylpentanoic acidRefChem:89938DTXSID909352314-{9-Hydroxy-2-[5'-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-2,3'-dimethyl[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl}-3-methoxy-2-methylpentanoic acidMonensin, 16-deethyl-26-deoxy-16-methyl-
Database identifiers
- CAS
155539-11-0- PubChem CID
- 197657
- DTXSID
DTXSID90935231
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,070
Physicochemical properties
- Boiling point
- 725.1 · 725.1±60.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 4.26 · 4.26±0.27(Predicted)
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Related reactions
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Compound notes
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