Antibiotic X 14873A
Basic information
- CAS
88263-37-0- Standard SMILES
CC[C@@H]1[C@H](O)[C@H](C)[C@@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@](C)([C@]3(O)O[C@@](CC)([C@@H](O)CC)C[C@H]3C)C[C@@H]2C)O[C@@]1(O)CC(=O)O- InChIKey
RBJNZOJIUIUXJZ-SKTXWQMBSA-N- Molecular formula
- C35H62O11
- Average molar mass
- 658.9 g/mol
- Monoisotopic mass
- 658.42921279
Overview
X-14873A is a sesterterpenoid.
Names & identifiers
- Preferred name
- Antibiotic X 14873A
- IUPAC
- 2-[(2S,3R,4R,5S,6R)-3-ethyl-6-[(2S,3S,4S,6R)-6-[(2S,3S,5S)-5-[(2R,3R,5R)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxypropyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2,4-dihydroxy-5-methyloxan-2-yl]acetic acid
Names & synonyms
Antibiotic X 14873AAntibiotic X-14873A88263-37-0Lysocellin, 4-demethyl-4-ethyl-5-hydroxy-, (5R)-2-[(2S,3R,4R,5S,6R)-3-ethyl-6-[(2S,3S,4S,6R)-6-[(2S,3S,5S)-5-[(2R,3R,5R)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxypropyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2,4-dihydroxy-5-methyloxan-2-yl]acetic acid2-((2S,3R,4R,5S,6R)-3-ethyl-6-((2S,3S,4S,6R)-6-((2S,3S,5S)-5-((2R,3R,5R)-5-ethyl-2-hydroxy-5-((1S)-1-hydroxypropyl)-3-methyloxolan-2-yl)-3,5-dimethyloxolan-2-yl)-3-hydroxy-4-methyl-5-oxooctan-2-yl)-2,4-dihydroxy-5-methyloxan-2-yl)acetic acidRefChem:915978X 14873AX-14873A(5R)-4-Demethyl-4-ethyl-5-hydroxylysocellinRO22-6924-004CHEBI:219597
Show more names
DTXSID201008045(7R)-2,4,6-Trideoxy-4-ethyl-7-[(2S,3S,4S,6R)-6-{(2S,2'R,3'R,4S,5S,5'R)-5'-ethyl-2'-hydroxy-5'-[(1S)-1-hydroxypropyl]-2,3',4-trimethyl[2,2'-bioxolan]-5-yl}-3-hydroxy-4-methyl-5-oxooctan-2-yl]-6-methyl-alpha-D-ribo-hept-3-ulopyranosonic acid2,4,6-Trideoxy-4-ethyl-7-{6-[5'-ethyl-2'-hydroxy-5'-(1-hydroxypropyl)-2,3',4-trimethyl[2,2'-bioxolan]-5-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl}-6-methylhept-3-ulopyranosonic acid
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 14
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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