sodium;hydride;2-hydroxy-3-methoxybutanedioic acid

C5H9NaO6 — CID 174566915

IUPACsodium;hydride;2-hydroxy-3-methoxybutanedioic acid
SMILESCOC(C(=O)O)C(O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C5H8O6.Na.H/c1-11-3(5(9)10)2(6)4(7)8;;/h2-3,6H,1H3,(H,7,8)(H,9,10);;/q;+1;-1
InChIKeySKWWEHAPQUUYON-UHFFFAOYSA-N
MW188.11 g/mol
LogP-4.35
Rot. Bonds4

About sodium;hydride;2-hydroxy-3-methoxybutanedioic acid

sodium;hydride;2-hydroxy-3-methoxybutanedioic acid (PubChem CID 174566915) has the molecular formula C5H9NaO6 and a molecular weight of 188.11 g/mol. Its IUPAC name is sodium;hydride;2-hydroxy-3-methoxybutanedioic acid.

Molecular Properties

Compound Namesodium;hydride;2-hydroxy-3-methoxybutanedioic acid
PubChem CID174566915
Molecular FormulaC5H9NaO6
Molecular Weight188.11 g/mol
Exact Mass188.03
IUPAC Namesodium;hydride;2-hydroxy-3-methoxybutanedioic acid
SMILESCOC(C(=O)O)C(O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C5H8O6.Na.H/c1-11-3(5(9)10)2(6)4(7)8;;/h2-3,6H,1H3,(H,7,8)(H,9,10);;/q;+1;-1
InChIKeySKWWEHAPQUUYON-UHFFFAOYSA-N
XLogP-4.35
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-4.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 173054452
CID 173054452
dipotassium;sodium;2,3-dihydroxybutanedioic acid;hydride
CID 173231446
2-[(1,2-dicarboxy-2-hydroxyethoxy)amino]oxy-3-hydroxybutanedioic acid
CID 90733190
(2S,3R)-2-bromo-3-methoxybutanedioic acid
CID 134993226
2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)
CID 174560140
lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride
CID 173404897
sodium;2,3-dihydroxybutanedioic acid;fluoride
CID 157387580
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
(2S,3R,4S,5R)-2,3,4-trihydroxy-5-methoxy-6-oxohexanoic acid
CID 87205204
sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175445177
2,3-dihydroxybutanedioic acid;oxaldehydic acid
CID 163565865
sodium;hydride;2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362537

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxy-3-methoxybutanedioic acid?
The IUPAC name of sodium;hydride;2-hydroxy-3-methoxybutanedioic acid (CID 174566915) is sodium;hydride;2-hydroxy-3-methoxybutanedioic acid.
What is the SMILES notation for sodium;hydride;2-hydroxy-3-methoxybutanedioic acid?
The canonical SMILES for sodium;hydride;2-hydroxy-3-methoxybutanedioic acid is COC(C(=O)O)C(O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxy-3-methoxybutanedioic acid?
The InChIKey is SKWWEHAPQUUYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O6.Na.H/c1-11-3(5(9)10)2(6)4(7)8;;/h2-3,6H,1H3,(H,7,8)(H,9,10);;/q;+1;-1.
What are the key properties of sodium;hydride;2-hydroxy-3-methoxybutanedioic acid?
sodium;hydride;2-hydroxy-3-methoxybutanedioic acid has a molecular weight of 188.11 g/mol, XLogP of -4.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxy-3-methoxybutanedioic acid is sourced from PubChem (CID 174566915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).