26-Deoxylaidlomycin
Basic information
- CAS
102674-88-4- Standard SMILES
CCC(=O)OC(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
LPRAEKVSUWNMQU-UHFFFAOYSA-N- Molecular formula
- C37H62O11
- Average molar mass
- 682.9 g/mol
- Monoisotopic mass
- 682.42921279
Overview
from Streptovertilicillium olivoreticuli; mediates monovalent cation specific passive transport; structure given in first source
Names & identifiers
- Preferred name
- 26-Deoxylaidlomycin
- 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]-2-methyl-3-propanoyloxypentanoic acid
- English name
- 26-deoxylaidlomycin
- Molecular formula
- C37H62O11
- Molecular weight
- 682.89
Names & synonyms
26-Deoxylaidlomycin102674-88-4Monensin, 16-deethyl-3-O-demethyl-26-deoxy-16-methyl-3-O-(1-oxopropyl)-RefChem:899374-[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]-2-methyl-3-propanoyloxypentanoic acidDTXSID609079804-{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}-2-methyl-3-(propanoyloxy)pentanoic acidDeoxylaidlomycin16-Deethyl-3-O-demethyl-26-deoxy-16-methyl-3-O-(1-oxopropyl)monensin
Database identifiers
- CAS
102674-88-4- PubChem CID
- 128148
- DTXSID
DTXSID60907980
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,180
Physicochemical properties
- Boiling point
- 759 · 759.0±60.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 3.94 · 3.94±0.27(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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