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34521-09-0 molecular structure
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disodium (1S,4R,5R,8S,11R,12R)-3,6,10,13-tetraoxo-2,7,9,14,15,16,17,18-octaoxa-1,8-distibapentacyclo[10.2.1.11,4.15,8.18,11]octadecane-1,8-diuide

ChemBase ID: 295259
Molecular Formular: C8H4Na2O12Sb2
Molecular Mass: 581.6097
Monoisotopic Mass: 579.75744413
SMILES and InChIs

SMILES:
O=C1O[Sb@@-]23O[C@@H]1[C@@H]1O[Sb@@-]4(OC1=O)OC(=O)[C@@H]([C@H](O2)C(=O)O3)O4.[Na+].[Na+]
Canonical SMILES:
O=C1O[Sb@-]23O[C@@H]1[C@@H]1O[Sb@@-]4(OC1=O)OC(=O)[C@@H]([C@H](O3)C(=O)O2)O4.[Na+].[Na+]
InChI:
InChI=1S/2C4H4O6.2Na.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;/h2*1-2H,(H,7,8)(H,9,10);;;;/q2*-2;2*+1;2*+3/p-4/t2*1-,2?;;;;/m11..../s1
InChIKey:
UZVPADYOEPQJSP-HSCDOKNESA-J

Cite this record

CBID:295259 http://www.chembase.cn/molecule-295259.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium (1S,4R,5R,8S,11R,12R)-3,6,10,13-tetraoxo-2,7,9,14,15,16,17,18-octaoxa-1,8-distibapentacyclo[10.2.1.11,4.15,8.18,11]octadecane-1,8-diuide
IUPAC Traditional name
disodium (1S,4R,5R,8S,11R,12R)-3,6,10,13-tetraoxo-2,7,9,14,15,16,17,18-octaoxa-1,8-distibapentacyclo[10.2.1.11,4.15,8.18,11]octadecane-1,8-diuide
Synonyms
Sodium antimonyl L-tartrate
L-酒石酸锑钠
CAS Number
34521-09-0
EC Number
252-070-9
MDL Number
MFCD00065402
Merck Index
14702
PubChem SID
180680790
PubChem CID
73995019

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
A12707 external link Add to cart Please log in.
Data Source Data ID
PubChem 73995019 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.71152  H Acceptors
H Donor LogD (pH = 5.5) 1.9143997 
LogD (pH = 7.4) 1.9143788  Log P -0.1856 
Molar Refractivity 43.8588 cm3 Polarizability 30.951506 Å3
Polar Surface Area 142.12 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
CC8050000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
UN Number
UN1549 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/22-51/53 expand Show data source
Safety Statements
9-36-57-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS09 expand Show data source
GHS Hazard statements
H331-H302-H411-H401 expand Show data source
GHS Precautionary statements
P261-P321-P304+P340-P311-P405-P501A expand Show data source
Purity
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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