sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate

C5H9NaO10 — CID 162037080

IUPACsodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate
SMILESO.O=C(O)C(O)C(O)C(=O)O.O=C([O-])O.[Na+]
InChIInChI=1S/C4H6O6.CH2O3.Na.H2O/c5-1(3(7)8)2(6)4(9)10;2-1(3)4;;/h1-2,5-6H,(H,7,8)(H,9,10);(H2,2,3,4);;1H2/q;;+1;/p-1
InChIKeyYWUCDNGLZFPESV-UHFFFAOYSA-M
MW252.11 g/mol
LogP-7.06
Rot. Bonds3

About sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate

sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate (PubChem CID 162037080) has the molecular formula C5H9NaO10 and a molecular weight of 252.11 g/mol. Its IUPAC name is sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate.

Molecular Properties

Compound Namesodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate
PubChem CID162037080
Molecular FormulaC5H9NaO10
Molecular Weight252.11 g/mol
Exact Mass252.01
IUPAC Namesodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate
SMILESO.O=C(O)C(O)C(O)C(=O)O.O=C([O-])O.[Na+]
InChIInChI=1S/C4H6O6.CH2O3.Na.H2O/c5-1(3(7)8)2(6)4(9)10;2-1(3)4;;/h1-2,5-6H,(H,7,8)(H,9,10);(H2,2,3,4);;1H2/q;;+1;/p-1
InChIKeyYWUCDNGLZFPESV-UHFFFAOYSA-M
XLogP-7.06
TPSA206.92 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 5-7.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

sodium;2,3-dihydroxybutanedioic acid;acetate
CID 89497134
(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 24755569
sodium;2,3-dihydroxybutanedioic acid;fluoride
CID 157387580
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate)
CID 158452904
azanium 2,3,4-trihydroxy-4-oxobutanoate
CID 6432315
chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)
CID 173015328
CID 173054452
CID 173054452
dipotassium;sodium;2,3-dihydroxybutanedioic acid;hydride
CID 173231446
dilithium;2,3-dihydroxybutanedioic acid;hydride;hydrate
CID 173273256
dibismuth;tripotassium;pentakis(2,3-dihydroxybutanedioic acid);tetrahydrate
CID 56963012
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290

Frequently Asked Questions

What is the IUPAC name of sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate?
The IUPAC name of sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate (CID 162037080) is sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate.
What is the SMILES notation for sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate?
The canonical SMILES for sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate is O.O=C(O)C(O)C(O)C(=O)O.O=C([O-])O.[Na+].
What is the InChIKey of sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate?
The InChIKey is YWUCDNGLZFPESV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O6.CH2O3.Na.H2O/c5-1(3(7)8)2(6)4(9)10;2-1(3)4;;/h1-2,5-6H,(H,7,8)(H,9,10);(H2,2,3,4);;1H2/q;;+1;/p-1.
What are the key properties of sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate?
sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate has a molecular weight of 252.11 g/mol, XLogP of -7.06, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate is sourced from PubChem (CID 162037080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).