2-[[2,4-dicarboxybutyl(hydroxy)phosphoryl]methyl]pentanedioic acid
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![2-[[2,4-dicarboxybutyl(hydroxy)phosphoryl]methyl]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b1da32cab2d94bd9a00c346565eea966.png "2-[[2,4-dicarboxybutyl(hydroxy)phosphoryl]methyl]pentanedioic acid")
2-[[2,4-dicarboxybutyl(hydroxy)phosphoryl]methyl]pentanedioic acid
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CAS No:
229472-51-9
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Formula:
C12H19O10P
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Chemical Name:
2-[[2,4-dicarboxybutyl(hydroxy)phosphoryl]methyl]pentanedioic acid
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Synonyms:
PBDA;229472-51-9;FN-6;CHEMBL134749;2-[[2,4-dicarboxybutyl(hydroxy)phosphoryl]methyl]pentanedioic acid;SCHEMBL4135913;2-[(2,4-Dicarboxy-butyl)-hydroxy-phosphinoylmethyl]-pentanedioic acid;DTXSID70274433;PBDA, >95% (NMR), liquid;BDBM50085699;J-014911;Pentanedioic acid, 2,2'-[phosphinicobis(methylene)]bis-;4-Carboxy-5-[(2,4-dicarboxy-butyl)-hydroxy-phosphinoyl]-pentanoic acid;(meso)4-Carboxy-5-[(2,4-dicarboxy-butyl)-hydroxy-phosphinoyl]-pentanoic acid;(S,S / R,R)4-Carboxy-5-[(2,4-dicarboxy-butyl)-hydroxy-phosphinoyl]-pentanoic acid
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CAS No:
2-[[2,4-dicarboxybutyl(hydroxy)phosphoryl]methyl]pentanedioic acid Basic Attributes
354.25 g/mol
354.07158380 g/mol
DTXSID70274433
Safety Information
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:354.25
XLogP3:-2.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:12
Exact Mass:354.07158380
Monoisotopic Mass:354.07158380
Topological Polar Surface Area:187
Heavy Atom Count:23
Complexity:472
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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