(7R,9R)-9-acetyl-7-[(2S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Basic information
- CAS
321328-67-0- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1- InChIKey
STQGQHZAVUOBTE-PUUMYOGYSA-N- Molecular formula
- C27H29NO10
- Average molar mass
- 527.5 g/mol
Names & identifiers
- Preferred name
- (7R,9R)-9-acetyl-7-[(2S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
- IUPAC
- (7R,9R)-9-acetyl-7-[(2S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
- English name
- WP 900
- Molecular formula
- C27H29NO10
- Molecular weight
- 527.53
Names & synonyms
CHEMBL1617377SCHEMBL15159339SCHEMBL29701241WP 9005,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-α-D-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8R,10R)-5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-α-D-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8R,10R)- (9CI)
Database identifiers
- CAS
321328-67-0- ChEMBL
CHEMBL1617377- Nikkaji
- J1.608.353D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 960
Physicochemical properties
- Boiling point
- 770 · 770.0±60.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 7.39 · 7.39±0.60(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…