Rhodosporin
Basic information
- CAS
21879-81-2- Standard SMILES
COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@](C)(O)[C@H](O)[C@@H]3O- InChIKey
ZQNOLGRKZRDRQO-OAGGEKHMSA-N- Molecular formula
- C16H16O8
- Average molar mass
- 336.29 g/mol
- Monoisotopic mass
- 336.08451746
Names & identifiers
- Preferred name
- Rhodosporin
- IUPAC
- (5R,6R,7S)-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione
- English name
- bostrycin
- Molecular formula
- C16H16O8
- Molecular weight
- 336.29
Names & synonyms
RhodosporinUNII-UN79XW6PL6SCHEMBL297248561,2,3,4-Tetrahydro-1-beta,2-beta,3-beta,5,8-pentahydroxy-6-methoxy-3-methylanthraquinoneAnthraquinone, 1,2,3,4-tetrahydro-1-beta,2-beta,3-beta,5,8-pentahydroxy-6-methoxy-3-methyl-1,4-Anthracenedione, 5,6,7,8-tetrahydro-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-, (5S-(5alpha,6beta,7beta))-5,6,7,8-Tetrahydro-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-1,4-anthracenedione (5S-(5alpha,6beta,7beta))-NS00094907Q63396564bostrycin(1S)-1,2,3,4-Tetrahydro-1,2β,3β,5,8-pentahydroxy-6-methoxy-3-methyl-9,10-anthraquinone1,4-Anthracenedione, 5,6,7,8-tetrahydro-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-, (5S,6R,7S)-
Database identifiers
- CAS
21879-81-2- PubChem CID
- 30839
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Melting point
- 222 · 222-224 °C (decomp)
- Boiling point
- 618.4 · 618.4±55.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 1 mg/ml · DMSO: 1 mg/ml
- form
- A solid
- pka
- 7.17 · 7.17±0.70(Predicted)
- FDA UNII
- 79 XW6PL6 · UN79XW6PL6
Chemistry & industry
Applications
UsesBostrycin (Rhodosporin) is a new type of red pigment antibiotic that is primarily effective against Gram-positive bacteria[1].
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