Home > Compound List > Compound details
135-53-5 molecular structure
click picture or here to close

sodium 6,7-dihydroxynaphthalene-2-sulfonate

ChemBase ID: 288313
Molecular Formular: C10H7NaO5S
Molecular Mass: 262.21435
Monoisotopic Mass: 261.99118861
SMILES and InChIs

SMILES:
O=S(=O)(c1ccc2cc(O)c(O)cc2c1)[O-].[Na+]
Canonical SMILES:
Oc1cc2cc(ccc2cc1O)S(=O)(=O)[O-].[Na+]
InChI:
InChI=1S/C10H8O5S.Na/c11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12;/h1-5,11-12H,(H,13,14,15);/q;+1/p-1
InChIKey:
JFXDYPLHFRYDJD-UHFFFAOYSA-M

Cite this record

CBID:288313 http://www.chembase.cn/molecule-288313.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium 6,7-dihydroxynaphthalene-2-sulfonate
IUPAC Traditional name
sodium 6,7-dihydroxynaphthalene-2-sulfonate
Synonyms
Sodium 6,7-dihydroxynaphthalene-2-sulfonate
sodium 2,3-dihydroxyNaphthalene-6-sulfonate
CAS Number
135-53-5
MDL Number
MFCD00004074
PubChem SID
180673844
PubChem CID
4410831

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4410831 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.2178338  H Acceptors
H Donor LogD (pH = 5.5) -0.8400081 
LogD (pH = 7.4) -0.84854484  Log P 1.5364987 
Molar Refractivity 55.9708 cm3 Polarizability 23.550978 Å3
Polar Surface Area 97.66 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle