2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid

C7H5O12P — CID 130254212

IUPAC2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid
SMILESO=C(O)C(=O)OCP(OC(=O)C(=O)O)OC(=O)C(=O)O
InChIInChI=1S/C7H5O12P/c8-2(9)5(14)17-1-20(18-6(15)3(10)11)19-7(16)4(12)13/h1H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyOJKAMOGJXPAGSW-UHFFFAOYSA-N
MW312.08 g/mol
LogP-1.86
Rot. Bonds4

About 2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid

2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid (PubChem CID 130254212) has the molecular formula C7H5O12P and a molecular weight of 312.08 g/mol. Its IUPAC name is 2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid
PubChem CID130254212
Molecular FormulaC7H5O12P
Molecular Weight312.08 g/mol
Exact Mass311.95
IUPAC Name2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid
SMILESO=C(O)C(=O)OCP(OC(=O)C(=O)O)OC(=O)C(=O)O
InChIInChI=1S/C7H5O12P/c8-2(9)5(14)17-1-20(18-6(15)3(10)11)19-7(16)4(12)13/h1H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyOJKAMOGJXPAGSW-UHFFFAOYSA-N
XLogP-1.86
TPSA190.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

trisodium;2-dioxalooxyphosphanyloxy-2-oxoacetic acid;tris(2-hydroxy-2-oxoacetate)
CID 140971891
2-(2-nitroso-2-oxoethoxy)-2-oxoacetic acid
CID 174626411
2-oxo-2-(2-trimethylsilylethoxy)acetic acid
CID 54505064
2-(3-cyano-2,2-dimethylpropoxy)-2-oxoacetic acid
CID 151880848
(2S)-2-amino-4-oxalooxybutanoic acid
CID 46173773
2-oxo-2-(4-oxobutoxy)acetic acid
CID 87706313
2-aminooxy-2-oxoacetic acid;propanoic acid
CID 174645946
azane;2-oxalooxysulfonyloxy-2-oxoacetic acid
CID 174442656
2-[hydroxy(oxalooxy)boranyl]oxy-2-oxoacetic acid;silver
CID 175112898
2-(2,2-diphenylethoxy)-2-oxoacetic acid
CID 70576459
2-oxo-2-(3-phenylmethoxypropoxy)acetic acid
CID 90995825
2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid
CID 57045753

Frequently Asked Questions

What is the IUPAC name of 2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid?
The IUPAC name of 2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid (CID 130254212) is 2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid.
What is the SMILES notation for 2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid?
The canonical SMILES for 2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid is O=C(O)C(=O)OCP(OC(=O)C(=O)O)OC(=O)C(=O)O.
What is the InChIKey of 2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid?
The InChIKey is OJKAMOGJXPAGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5O12P/c8-2(9)5(14)17-1-20(18-6(15)3(10)11)19-7(16)4(12)13/h1H2,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid?
2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid has a molecular weight of 312.08 g/mol, XLogP of -1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dioxalooxyphosphanylmethoxy)-2-oxoacetic acid is sourced from PubChem (CID 130254212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).