Chromomycinone
(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
Also Known As: Chromomycinone|none|Chromomycin B|Chromomycin-B|KST-1A2578|KST-1A2579|(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-xylulose|(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)-3alpha-[(1S,3S,4R)-3,4-Dihydroxy-1-methoxy-2-oxopentyl]-3,4-dihydro-2beta,6,8,9-tetrahydroxy-7-methylanthracen-1(2H)-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-one|(2S,3R)-3-[(1S,3S,4R)-3,4-DIHYDROXY-1-METHOXY-2-OXOPENTYL]-2,6,8,9-TETRAHYDROXY-7-METHYL-1,2,3,4-TETRAHYDROANTHRACEN-1-ONE|1(2H)-Anthracenone, 3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-3,4-dihydro-2,6,8,9-tetrahydroxy-7-methyl-, [2S-[2.alpha.,3.beta.(1R*,3R*,4S*)]]-|1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYROXY-7-METHYLANTHRACENE|CPh|CRH|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))-
| Molecular Formula | C21H24O9 |
|---|---|
| Molecular Weight | 420.14203 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.14203 |
| Monoisotopic Mass | 420.14203 |
| Heavy Atoms | 30 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 20577-46-2 |
|---|---|
| SMILES | CC1=C(C2=C(C3=C(C[C@H]([C@@H](C3=O)O)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)C=C2C=C1O)O)O |
| InChIKey | AOCJXLJIUYHXRS-PKRZCTMMSA-N |
Product Overview
Chromomycinone (CAS 20577-46-2), with molecular formula C21H24O9 and molecular weight 420.14203 g/mol. 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.