Basic information
- CAS
29520-22-7- Standard SMILES
Cc1cc(OS(=O)(=O)O)c2ccccc2c1OS(=O)(=O)O- InChIKey
JYJGXBHAXCGVHV-UHFFFAOYSA-N- Molecular formula
- C11H10O8S2
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 333.98170962
Names & identifiers
- Preferred name
- Menadiol disulfate
- IUPAC
- (2-methyl-4-sulfooxynaphthalen-1-yl) hydrogen sulfate
- English name
- 2-methyl-1,4-naphthylene bis(hydrogen sulphate)
- Molecular formula
- C11H10O8S2
- Molecular weight
- 334.3223
Names & synonyms
MENADIOL DISULFATE29520-22-74TGB4HYC3M2-Methyl-1,4-naphthylene bis(hydrogen sulfate)2-Methyl-1,4-naphthylene bis(hydrogen sulphate)menadiol sulfateNSC-87576UNII-4TGB4HYC3MMenadiol disulphate2-methylnaphthalene-1,4-diyl bis(hydrogen sulfate)EINECS 249-679-7Menadiol Sulfuric Acid
Show more names
2-methyl-1,4-bis-sulfooxy-naphthalene2-Methyl-1,4-naphthalenediol bissulfate
Menadiol sodium sulfate, INNSCHEMBL516199Menadiol sodium sulphate, INN1,4-Naphthalenediol, 2-methyl-, bis(hydrogen sulfate)CHEMBL2110971DTXSID30862714JYJGXBHAXCGVHV-UHFFFAOYSA-NNS00083747
Database identifiers
- CAS
29520-22-7- PubChem CID
- 71103
- DTXSID
DTXSID30862714- ChEMBL
CHEMBL2110971- UNII
- 4TGB4HYC3M
- EC Number
- 249-679-7
- Nikkaji
- J28.631A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- FDA UNII
- 4 TGB4HYC3M · 4TGB4HYC3M
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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