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trisodium 1-amino-4-{[4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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ChemBase ID:
130883
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Molecular Formular:
C29H17ClN7Na3O11S3
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Molecular Mass:
840.10289
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Monoisotopic Mass:
838.95297792
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SMILES and InChIs
SMILES:
c1ccc2c(c1)C(=O)c1c(cc(c(c1C2=O)N)S(=O)(=O)[O-])Nc1ccc(c(c1)S(=O)(=O)[O-])Nc1nc(nc(n1)Cl)Nc1cccc(c1)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Canonical SMILES:
[O-]S(=O)(=O)c1cc(ccc1Nc1nc(Cl)nc(n1)Nc1cccc(c1)S(=O)(=O)[O-])Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChI:
InChI=1S/C29H20ClN7O11S3.3Na/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3
InChIKey:
VZPXDCIISFTYOM-UHFFFAOYSA-K
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Cite this record
CBID:130883 http://www.chembase.cn/molecule-130883.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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trisodium 1-amino-4-{[4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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IUPAC Traditional name
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trisodium 1-amino-4-{[4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophenyl]amino}-9,10-dioxoanthracene-2-sulfonate
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Synonyms
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Cibacron Blue 3GA Agarose
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汽巴蓝 3GA 琼脂糖
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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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-5.5023346
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H Acceptors
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18
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H Donor
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4
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LogD (pH = 5.5)
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-1.076469
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LogD (pH = 7.4)
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-1.078287
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Log P
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-1.0826225
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Molar Refractivity
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181.6666 cm3
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Polarizability
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69.83066 Å3
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Polar Surface Area
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306.52 Å2
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Rotatable Bonds
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9
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
C1285
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Physical form 含 0.02% 硫柳汞的 0.5M NaCl 中的悬浮液 |
Sigma Aldrich -
C1160
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Physical form Suspension in 0.5 M NaCl containing 0.02% thimerosal |
Sigma Aldrich -
C1535
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Physical form Suspension in 0.5 M NaCl containing 0.02% thimerosal Application Cibacron Blue 3GA-agarose is an agarose conjugate in saline suspension used in affinity chromatography, protein chromatography and dye resins. |
Sigma Aldrich -
C1660
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Quantity Swelling: 1 g swells to approx. 5 ml Physical form Stabilized with lactose |
Sigma Aldrich -
C0910
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Physical form Suspension in 0.5 M NaCl containing 0.02% thimerosal |
Sigma Aldrich -
C1035
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Physical form Suspension in 0.5 M NaCl containing 0.02% thimerosal |
Sigma Aldrich -
C8321
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Physical form Suspension in 0.5 M NaCl containing 0.02% thimerosal Application Cibacron Blue 3GA-agarose is an agarose conjugate in saline suspension used in affinity chromatography, protein chromatography and dye resins. |
Sigma Aldrich -
C1410
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Quantity Swelling: 1 g swells to approx. 5 ml Physical form Stabilized with lactose |
Sigma Aldrich -
C1461
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Physical form Suspension in 0.05 M NaCl containing 0.02% thimerosal |
PATENTS
PATENTS
PubChem Patent
Google Patent