PBDA cpd

2-[[2,4-dicarboxybutyl(hydroxy)phosphoryl]methyl]pentanedioic acid

CAS: 229472-51-9

Molecular Formula	`C12H19O10P`
Molecular Weight	354.25 g/mol
LogP	-2.3
Topological Polar Surface Area	187.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	12
Exact Mass	354.0716
Heavy Atoms	23
Complexity	472.0

Chemical Identifiers

CAS Number	229472-51-9
SMILES	`C(CC(=O)O)C(CP(=O)(CC(CCC(=O)O)C(=O)O)O)C(=O)O`
InChIKey	`SGRJLTOOQLQDRH-UHFFFAOYSA-N`

📖 Product Overview

PBDA cpd (CAS: 229472-51-9) is a chemical compound with molecular formula C12H19O10P and molecular weight 354.25 g/mol. Its IUPAC systematic name is 2-[[2,4-dicarboxybutyl(hydroxy)phosphoryl]methyl]pentanedioic acid. LogP -2.3 Topological Polar Surface Area 187.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 10 Rotatable Bonds 12 Exact Mass 354.0716 Heavy Atoms 23 Complexity 472.0 InChI Key: SGRJLTOOQLQDRH-UHFFFAOYSA-N. SMILES: C(CC(=O)O)C(CP(=O)(CC(CCC(=O)O)C(=O)O)O)C(=O)O.

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