Chromomycinone
Basic information
- CAS
10183-93-4- Standard SMILES
CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)[C@H]1O- InChIKey
AOCJXLJIUYHXRS-PKRZCTMMSA-N- Molecular formula
- C21H24O9
- Average molar mass
- 420.4 g/mol
- Monoisotopic mass
- 420.14203234
Overview
Chromomycinone has been reported in Streptomyces with data available.
Names & identifiers
- Preferred name
- Chromomycinone
- IUPAC
- (2S,3R)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one
- English name
- chromomycinone
- Molecular formula
- C21H24O9
- Molecular weight
- 420.41
Names & synonyms
Chromomycinone10183-93-4DTXSID70144203(2S,3R)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one(2S,3R)-3-((1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl)-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-oneRefChem:125914DTXCID2066694(1s)-5-deoxy-1-o-methyl-1-c-[(2r,3s)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-d-xyluloseChromomycin-BNSC328422NSC-328422Q27458915
Show more names
(2R)-3β-[(1S)-3,4-Dihydroxy-1-methoxy-2-oxopentyl]-3,4-dihydro-2,6,8,9-tetrahydroxy-7-methylanthracen-1(2H)-oneD-threo-2-Pentulose, 5-deoxy-1-O-methyl-1-C-[(2R,3S)-1,2,3,4-tetrahydro-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-2-anthracenyl]-, (1S)-
D-threo-2-Pentulose, 5-deoxy-1-O-methyl-1-C-(1,2,3,4-tetrahydro-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-2-anthracenyl)-, (2R-(2alpha(1S*),3beta))-
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 654
Physicochemical properties
- Boiling point
- 719.4 · 719.4±60.0 °C(Predicted)
- Density
- 1.521 · 1.521±0.06 g/cm3(Predicted)
- pka
- 4.73 · 4.73±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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