disodium;(2S)-2-hydroxypentanedioate

C5H6Na2O5 — CID 56845267

IUPACdisodium;(2S)-2-hydroxypentanedioate
SMILESO=C([O-])CC[C@H](O)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/t3-;;/m0../s1
InChIKeyDZHFTEDSQFPDPP-QTNFYWBSSA-L
MW192.08 g/mol
LogP-9.36
Rot. Bonds4

About disodium;(2S)-2-hydroxypentanedioate

disodium;(2S)-2-hydroxypentanedioate (PubChem CID 56845267) has the molecular formula C5H6Na2O5 and a molecular weight of 192.08 g/mol. Its IUPAC name is disodium;(2S)-2-hydroxypentanedioate.

Molecular Properties

Compound Namedisodium;(2S)-2-hydroxypentanedioate
PubChem CID56845267
Molecular FormulaC5H6Na2O5
Molecular Weight192.08 g/mol
Exact Mass192.00
IUPAC Namedisodium;(2S)-2-hydroxypentanedioate
SMILESO=C([O-])CC[C@H](O)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/t3-;;/m0../s1
InChIKeyDZHFTEDSQFPDPP-QTNFYWBSSA-L
XLogP-9.36
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 5-9.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-hydroxypentanedioate
CID 5460200
tetrasodium;4-[(3-carboxylato-1-oxidopropyl)amino]-4-oxidobutanoate
CID 14009399
disodium;(2S)-2-hydroxybutanedioate
CID 6097189
2,3-dihydroxyhexanedioate
CID 20505803
azanium;sodium;(2S)-2-hydroxybutanedioate
CID 141157633
(2R)-4-azaniumyl-2-hydroxybutanoate
CID 38988563
sodium;2-hydroxybutanedioate;dihydrate
CID 22761792
tetrasodium;2-aminopentanedioate;oxalate
CID 175012253
disodium;(2S)-2-(hydroxyamino)pentanedioate
CID 87933106
tetrasodium;2-aminopentanedioate;diacetate
CID 18668480
2-bromopentanedioate
CID 18539512
4-amino-2-hydroxybutanoate;hydrochloride
CID 22475604

Frequently Asked Questions

What is the IUPAC name of disodium;(2S)-2-hydroxypentanedioate?
The IUPAC name of disodium;(2S)-2-hydroxypentanedioate (CID 56845267) is disodium;(2S)-2-hydroxypentanedioate.
What is the SMILES notation for disodium;(2S)-2-hydroxypentanedioate?
The canonical SMILES for disodium;(2S)-2-hydroxypentanedioate is O=C([O-])CC[C@H](O)C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;(2S)-2-hydroxypentanedioate?
The InChIKey is DZHFTEDSQFPDPP-QTNFYWBSSA-L. The full InChI is InChI=1S/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2/t3-;;/m0../s1.
What are the key properties of disodium;(2S)-2-hydroxypentanedioate?
disodium;(2S)-2-hydroxypentanedioate has a molecular weight of 192.08 g/mol, XLogP of -9.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2S)-2-hydroxypentanedioate is sourced from PubChem (CID 56845267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).