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331753-56-1 molecular structure
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dipotassium 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 hydrate

ChemBase ID: 130798
Molecular Formular: C8H6K2O13Sb2
Molecular Mass: 631.84204
Monoisotopic Mass: 629.71588361
SMILES and InChIs

SMILES:
C12C3C(=O)O[Sb-]4(O3)OC(C3C(=O)O[Sb-](O1)(O3)OC2=O)C(=O)O4.O.[K+].[K+]
Canonical SMILES:
O=C1O[Sb-]23OC1C1O[Sb-]4(OC1=O)OC(=O)C(C(O3)C(=O)O2)O4.O.[K+].[K+]
InChI:
InChI=1S/2C4H4O6.2K.H2O.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;;/h2*1-2H,(H,7,8)(H,9,10);;;1H2;;/q2*-2;2*+1;;2*+3/p-4
InChIKey:
BBUFTTIHMIIQLI-UHFFFAOYSA-J

Cite this record

CBID:130798 http://www.chembase.cn/molecule-130798.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dipotassium 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 hydrate
IUPAC Traditional name
dipotassium 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 hydrate
Synonyms
Potassium antimony(III) tartrate hydrate
Antimony potassium tartrate
吐酒石
酒石酸氧锑钾 水合物
CAS Number
331753-56-1
MDL Number
MFCD00149437
PubChem SID
162225076
24853773
24854705
24898807
PubChem CID
53315432

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 53315432 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

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder expand Show data source
Density
2.6 g/mL at 25 °C(lit.) expand Show data source
Optical Rotation
[α]20/D +141°, c = 2 in H2O expand Show data source
RTECS
CC6825000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1551 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
20/22-51/53 expand Show data source
Safety Statements
61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H332-H411 expand Show data source
GHS Precautionary statements
P273 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
RID/ADR
UN 1551 6.1/PG 3 expand Show data source
Purity
≥99% expand Show data source
99% (titration) expand Show data source
99.95% trace metals basis expand Show data source
Empirical Formula (Hill Notation)
C8H4K2O12Sb2 · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 244791 external link
Packaging
100, 500 g in poly bottle
5 g in glass bottle
Sigma Aldrich - 230057 external link
Packaging
10, 100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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