Alizarine Saphirol SE
Basic information
- CAS
5138-23-8- Standard SMILES
Nc1ccc(O)c2c1C(=O)c1c(O)c(S(=O)(=O)O)cc(N)c1C2=O- InChIKey
SPHQXPPVJCWUGX-UHFFFAOYSA-N- Molecular formula
- C14H10N2O7S
- Average molar mass
- 350.31 g/mol
- Monoisotopic mass
- 350.02087184
Names & identifiers
- Preferred name
- Alizarine Saphirol SE
- IUPAC
- 4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid
Names & synonyms
Alizarine Saphirol SENSC-73410NSC734105138-23-8CHEMBL435920NCIOpen2_008926SCHEMBL10706301DTXSID50274577BDBM501958624,8-diamino-1,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid4,8-diamino-1,5-dihydroxy-9,10-dioxo-anthracene-2-sulfonic acid2-Anthracenesulfonic acid,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-
Show more names
4,8-Diamino-1,5-dihydroxy-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid
Database identifiers
- CAS
5138-23-8- PubChem CID
- 16528
- DTXSID
DTXSID50274577- ChEMBL
CHEMBL435920
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 661
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Related reactions
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Compound notes
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