sodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid

C4H4NaO10P — CID 175451880

IUPACsodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid
SMILESO=C(O)C(=O)OP(=O)(O)OC(=O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C4H3O10P.Na.H/c5-1(6)3(9)13-15(11,12)14-4(10)2(7)8;;/h(H,5,6)(H,7,8)(H,11,12);;/q;+1;-1
InChIKeyUHKBYVODMDBLOY-UHFFFAOYSA-N
MW266.03 g/mol
LogP-4.54
Rot. Bonds2

About sodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid

sodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid (PubChem CID 175451880) has the molecular formula C4H4NaO10P and a molecular weight of 266.03 g/mol. Its IUPAC name is sodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid.

Molecular Properties

Compound Namesodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid
PubChem CID175451880
Molecular FormulaC4H4NaO10P
Molecular Weight266.03 g/mol
Exact Mass265.94
IUPAC Namesodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid
SMILESO=C(O)C(=O)OP(=O)(O)OC(=O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C4H3O10P.Na.H/c5-1(6)3(9)13-15(11,12)14-4(10)2(7)8;;/h(H,5,6)(H,7,8)(H,11,12);;/q;+1;-1
InChIKeyUHKBYVODMDBLOY-UHFFFAOYSA-N
XLogP-4.54
TPSA164.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.03
LogP ≤ 5-4.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

calcium;azane;[carboxyoxy(hydroxy)phosphoryl] hydrogen carbonate;hydride
CID 174320503
potassium;sodium;hydride;phosphono hydrogen carbonate
CID 174050740
trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate
CID 175560096
bis(barium(2+));hydride;oxalic acid;phosphoric acid
CID 173360168
sodium;carbonic acid;hydride;iron;phosphoric acid
CID 175192038
dilithium;hydride;phosphono hydrogen carbonate
CID 174596841
dicalcium;hydride;phosphono hydrogen carbonate
CID 173003816
pentasodium;hydride;phosphoric acid
CID 173157264
sodium;hydride;phosphoric acid
CID 3084021
sodium;hydride;phosphoric acid
CID 173151585
trisodium;hydride;phosphoric acid
CID 173046731
calcium;hydride;[hydroxy(phosphonooxy)phosphoryl] hydrogen carbonate
CID 174664058

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid?
The IUPAC name of sodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid (CID 175451880) is sodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid.
What is the SMILES notation for sodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid?
The canonical SMILES for sodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid is O=C(O)C(=O)OP(=O)(O)OC(=O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid?
The InChIKey is UHKBYVODMDBLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3O10P.Na.H/c5-1(6)3(9)13-15(11,12)14-4(10)2(7)8;;/h(H,5,6)(H,7,8)(H,11,12);;/q;+1;-1.
What are the key properties of sodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid?
sodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid has a molecular weight of 266.03 g/mol, XLogP of -4.54, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid is sourced from PubChem (CID 175451880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).