disodium;pentanedioate;hydrochloride

C5H7ClNa2O4 — CID 175525255

IUPACdisodium;pentanedioate;hydrochloride
SMILESCl.O=C([O-])CCCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C5H8O4.ClH.2Na/c6-4(7)2-1-3-5(8)9;;;/h1-3H2,(H,6,7)(H,8,9);1H;;/q;;2*+1/p-2
InChIKeyQAYRTYVDZQEUMQ-UHFFFAOYSA-L
MW212.54 g/mol
LogP-7.91
Rot. Bonds4

About disodium;pentanedioate;hydrochloride

disodium;pentanedioate;hydrochloride (PubChem CID 175525255) has the molecular formula C5H7ClNa2O4 and a molecular weight of 212.54 g/mol. Its IUPAC name is disodium;pentanedioate;hydrochloride.

Molecular Properties

Compound Namedisodium;pentanedioate;hydrochloride
PubChem CID175525255
Molecular FormulaC5H7ClNa2O4
Molecular Weight212.54 g/mol
Exact Mass211.98
IUPAC Namedisodium;pentanedioate;hydrochloride
SMILESCl.O=C([O-])CCCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C5H8O4.ClH.2Na/c6-4(7)2-1-3-5(8)9;;;/h1-3H2,(H,6,7)(H,8,9);1H;;/q;;2*+1/p-2
InChIKeyQAYRTYVDZQEUMQ-UHFFFAOYSA-L
XLogP-7.91
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.54
LogP ≤ 5-7.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cadmium(2+);pentanedioate
CID 19376914
bis(antimony(3+));tris(pentanedioate)
CID 19376891
disodium;undecanedioate
CID 15107599
tridecanedioate
CID 6994474
cadmium(2+);hexanedioate
CID 19376883
magnesium hexanedioate
CID 24074
strontium hexanedioate
CID 134687758
sodium 4-hydroxy(1,2,3,4-13C4)butanoate
CID 139025091
dipotassium;octadecanedioate
CID 141466899
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370

Frequently Asked Questions

What is the IUPAC name of disodium;pentanedioate;hydrochloride?
The IUPAC name of disodium;pentanedioate;hydrochloride (CID 175525255) is disodium;pentanedioate;hydrochloride.
What is the SMILES notation for disodium;pentanedioate;hydrochloride?
The canonical SMILES for disodium;pentanedioate;hydrochloride is Cl.O=C([O-])CCCC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;pentanedioate;hydrochloride?
The InChIKey is QAYRTYVDZQEUMQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H8O4.ClH.2Na/c6-4(7)2-1-3-5(8)9;;;/h1-3H2,(H,6,7)(H,8,9);1H;;/q;;2*+1/p-2.
What are the key properties of disodium;pentanedioate;hydrochloride?
disodium;pentanedioate;hydrochloride has a molecular weight of 212.54 g/mol, XLogP of -7.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;pentanedioate;hydrochloride is sourced from PubChem (CID 175525255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).