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81012-89-7 molecular structure
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sodium naphthalen-1-yl hydrogen phosphate

ChemBase ID: 106138
Molecular Formular: C10H8NaO4P
Molecular Mass: 246.131651
Monoisotopic Mass: 246.00578965
SMILES and InChIs

SMILES:
[Na+].OP(=O)([O-])Oc1c2ccccc2ccc1
Canonical SMILES:
[O-]P(=O)(Oc1cccc2c1cccc2)O.[Na+]
InChI:
InChI=1S/C10H9O4P.Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H2,11,12,13);/q;+1/p-1
InChIKey:
DELRLFMUZXCKAR-UHFFFAOYSA-M

Cite this record

CBID:106138 http://www.chembase.cn/molecule-106138.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium naphthalen-1-yl hydrogen phosphate
IUPAC Traditional name
potassium naphthalen-1-yl hydrogen phosphate
Synonyms
1-Naphtylphosphat Mononatriumsalz Monohydrat
1-NAPHTHYL PHOSPHATE MONOSODIUM SALT HYDRATE
CAS Number
81012-89-7
PubChem SID
162087666
PubChem CID
2114

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02199410 external link Add to cart Please log in.
Data Source Data ID
PubChem 2114 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7687037  H Acceptors
H Donor LogD (pH = 5.5) -0.3771822 
LogD (pH = 7.4) -1.1169077  Log P 2.0052922 
Molar Refractivity 54.2403 cm3 Polarizability 22.559288 Å3
Polar Surface Area 69.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
2-8°C expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02199410 external link
A non-specific phosphatase inhibitor. Inhibits acid, alkaline and protein phosphatases.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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