sodium;2,2-dihydroxypropanedioic acid;hydride

C3H5NaO6 — CID 3084548

IUPACsodium;2,2-dihydroxypropanedioic acid;hydride
SMILESO=C(O)C(O)(O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C3H4O6.Na.H/c4-1(5)3(8,9)2(6)7;;/h8-9H,(H,4,5)(H,6,7);;/q;+1;-1
InChIKeyARAPOFATCZDCTP-UHFFFAOYSA-N
MW160.06 g/mol
LogP-5.05
Rot. Bonds2

About sodium;2,2-dihydroxypropanedioic acid;hydride

sodium;2,2-dihydroxypropanedioic acid;hydride (PubChem CID 3084548) has the molecular formula C3H5NaO6 and a molecular weight of 160.06 g/mol. Its IUPAC name is sodium;2,2-dihydroxypropanedioic acid;hydride.

Molecular Properties

Compound Namesodium;2,2-dihydroxypropanedioic acid;hydride
PubChem CID3084548
Molecular FormulaC3H5NaO6
Molecular Weight160.06 g/mol
Exact Mass160.00
IUPAC Namesodium;2,2-dihydroxypropanedioic acid;hydride
SMILESO=C(O)C(O)(O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C3H4O6.Na.H/c4-1(5)3(8,9)2(6)7;;/h8-9H,(H,4,5)(H,6,7);;/q;+1;-1
InChIKeyARAPOFATCZDCTP-UHFFFAOYSA-N
XLogP-5.05
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.06
LogP ≤ 5-5.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 173065911
trisodium;carbonic acid;hydride
CID 173012363
sodium;ethane-1,1,1-tricarboxylic acid;hydride
CID 174341245
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
calcium;disodium;carbonic acid;hydride
CID 174940412
sodium;carbonic acid;hydride;hydrofluoride
CID 173386411
CID 173238603
CID 173238603
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501
trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
CID 173003621
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516
disodium;(1-carboxy-1-hydroxyethyl)-oxosulfanium;hydride
CID 175039927

Frequently Asked Questions

What is the IUPAC name of sodium;2,2-dihydroxypropanedioic acid;hydride?
The IUPAC name of sodium;2,2-dihydroxypropanedioic acid;hydride (CID 3084548) is sodium;2,2-dihydroxypropanedioic acid;hydride.
What is the SMILES notation for sodium;2,2-dihydroxypropanedioic acid;hydride?
The canonical SMILES for sodium;2,2-dihydroxypropanedioic acid;hydride is O=C(O)C(O)(O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2,2-dihydroxypropanedioic acid;hydride?
The InChIKey is ARAPOFATCZDCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O6.Na.H/c4-1(5)3(8,9)2(6)7;;/h8-9H,(H,4,5)(H,6,7);;/q;+1;-1.
What are the key properties of sodium;2,2-dihydroxypropanedioic acid;hydride?
sodium;2,2-dihydroxypropanedioic acid;hydride has a molecular weight of 160.06 g/mol, XLogP of -5.05, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,2-dihydroxypropanedioic acid;hydride is sourced from PubChem (CID 3084548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).