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26039-10-1 molecular structure
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tetrasodium (phosphonatoamino)phosphonate

ChemBase ID: 130568
Molecular Formular: HNNa4O6P2
Molecular Mass: 264.917642
Monoisotopic Mass: 264.88698714
SMILES and InChIs

SMILES:
N(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
Canonical SMILES:
[O-]P(=O)(NP(=O)([O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChI:
InChI=1S/H5NO6P2.4Na/c2-8(3,4)1-9(5,6)7;;;;/h(H5,1,2,3,4,5,6,7);;;;/q;4*+1/p-4
InChIKey:
KDZOOFFPQVQSQG-UHFFFAOYSA-J

Cite this record

CBID:130568 http://www.chembase.cn/molecule-130568.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrasodium (phosphonatoamino)phosphonate
IUPAC Traditional name
tetrasodium phosphonatoaminophosphonate
Synonyms
Imidodiphosphate sodium salt
亚氨二磷酸盐 钠盐
CAS Number
26039-10-1
EC Number
247-423-9
PubChem SID
162224846
24895908
PubChem CID
71308320

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
I0631 external link Add to cart Please log in.
Data Source Data ID
PubChem 71308320 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 1.1341395  H Acceptors
H Donor LogD (pH = 5.5) -7.5790668 
LogD (pH = 7.4) -9.239324  Log P -2.171063 
Molar Refractivity 22.9878 cm3 Polarizability 10.641668 Å3
Polar Surface Area 138.41 Å2

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97% expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - I0631 external link
包装
1 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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