Basic information
- CAS
26055-63-0- Standard SMILES
C[C@H]1O[C@@H](c2ccc3c(c2O)C(=O)C2=C(C3=O)[C@@]3(O)C(=O)C[C@](C)(O)C[C@@]3(O)C=C2)C[C@@H](O)[C@@H]1O- InChIKey
KCOULPRVOZDQEL-IFNZWHIZSA-N- Molecular formula
- C25H26O10
- Average molar mass
- 486.5 g/mol
- Monoisotopic mass
- 486.15259702
Overview
Aquayamycin is an angucycline.
Names & identifiers
- Preferred name
- Aquayamycin
- IUPAC
- (3R,4aR,12bS)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
- English name
- aquayamycin
- Molecular formula
- C25H26O10
- Molecular weight
- 486.47
Names & synonyms
AquayamycinDTXSID409489329-(Tetrahydro-4',5'-dihydroxy-6'-methyl-2'H-pyran-2'-yl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methyl-benz(a)anthracene-1,7,12(2H)-trione(3R,4aR,12bS)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione(3R,4aR,12bS)-9-((2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl)-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo(a)anthracene-1,7,12-trioneRefChem:916075DTXCID501513152(3R,4aR,12bS)-9-((4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl)-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo(a)anthracene-1,7,12-trione26055-63-0Urdamycinone ANSC 184398(1r)-1,5-anhydro-2,6-dideoxy-1-[(3r,4ar,12bs)-3,4a,8,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydrotetraphen-9-yl]-d-arabino-hexitol
Show more names
(3R)-9-(2,6-Dideoxy-β-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3α,4aα,8,12bα-tetrahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trioneBenz[a]anthracene-1,7,12(2H)-trione, 9-(2,6-dideoxy-β-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methyl-, (3R,4aR,12bS)-
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 1
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- Boiling point
- 782.2 · 782.2±60.0 °C(Predicted)
- Density
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- pka
- 6.03 · 6.03±0.70(Predicted)
Chemistry & industry
Applications
UsesAquayamycin is an angucycline antibiotic. Aquayamycin is active against Gram-positive bacteria, Ehrlich ascites carcinoma, and Yoshida rat sarcoma cells[1].
Suppliers2 total
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Aquayamycin is an angucycline.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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