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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
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ChemBase ID:
130798
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Molecular Formular:
C8H6K2O13Sb2
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Molecular Mass:
631.84204
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Monoisotopic Mass:
629.71588361
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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
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Cite this record
CBID:130798 http://www.chembase.cn/molecule-130798.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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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
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IUPAC Traditional name
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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
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Synonyms
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Potassium antimony(III) tartrate hydrate
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Antimony potassium tartrate
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吐酒石
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酒石酸氧锑钾 水合物
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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11.71152
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H Acceptors
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8
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H Donor
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0
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LogD (pH = 5.5)
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1.9143997
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LogD (pH = 7.4)
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1.9143788
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Log P
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-0.1856
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Molar Refractivity
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43.8588 cm3
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Polarizability
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30.951506 Å3
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Polar Surface Area
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142.12 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent