Basic information
- CAS
144790-54-5- Standard SMILES
CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(OC(C)=O)c12- InChIKey
FBZQMQAHEDKOQX-UHFFFAOYSA-N- Molecular formula
- C14H13NO9S2
- Average molar mass
- 403.4 g/mol
- Monoisotopic mass
- 403.00317334
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-(acetyloxy)-, sodium salt (1:2)
- IUPAC
- 4-acetamido-5-acetyloxynaphthalene-2,7-disulfonic acid
Names & synonyms
2,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-(acetyloxy)-, disodium salt63870-51-92,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-(acetyloxy)-, sodium salt (1:2)DTXSID70889824RefChem:446106DTXCID701029076144790-54-5CHEMBL356560SCHEMBL10703652DTXSID10932409FBZQMQAHEDKOQX-UHFFFAOYSA-N4AcNH-5AcO-Naphth-2,7diSO3H
Show more names
4-acetamido-5-acetoxy-naphthalene-2,7-disulfonic acidN-[8-(Acetyloxy)-3,6-disulfonaphthalen-1-yl]ethanimidic acid1-Naphthalenecarboxylic acid, 8-(acetylamino)-3,6-disulfo-, 1-methyl ester
Database identifiers
- CAS
144790-54-5、63870-51-9- PubChem CID
- 454576
- DTXSID
DTXSID10932409- ChEMBL
CHEMBL356560- Nikkaji
- J528.491K
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 765
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-(acetyloxy)-, sodium salt (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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