3-Acetyl-3,12-dihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside
Basic information
- CAS
71800-91-4- Standard SMILES
COc1cccc2c1C(=O)c1c(cc3c(c1O)C(OC1CC(N)C(O)C(C)O1)CC(O)(C(C)=O)C3)C2=O- InChIKey
ZCLQMQOBRBUQOR-UHFFFAOYSA-N- Molecular formula
- C27H29NO9
- Average molar mass
- 511.5 g/mol
- Monoisotopic mass
- 511.1842315
Names & identifiers
- Preferred name
- 3-Acetyl-3,12-dihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside
- IUPAC
- 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9-dihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Names & synonyms
3-acetyl-3,12-dihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranosideDTXSID70992463
Database identifiers
- CAS
71800-91-4- PubChem CID
- 1410
- DTXSID
DTXSID70992463
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 928
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Compound notes
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