2-dimethoxyphosphoryloxyacetic acid

C4H9O6P — CID 88616837

IUPAC2-dimethoxyphosphoryloxyacetic acid
SMILESCOP(=O)(OC)OCC(=O)O
InChIInChI=1S/C4H9O6P/c1-8-11(7,9-2)10-3-4(5)6/h3H2,1-2H3,(H,5,6)
InChIKeyPJCRIAMZYINCKU-UHFFFAOYSA-N
MW184.08 g/mol
LogP0.49
Rot. Bonds5

About 2-dimethoxyphosphoryloxyacetic acid

2-dimethoxyphosphoryloxyacetic acid (PubChem CID 88616837) has the molecular formula C4H9O6P and a molecular weight of 184.08 g/mol. Its IUPAC name is 2-dimethoxyphosphoryloxyacetic acid.

Molecular Properties

Compound Name2-dimethoxyphosphoryloxyacetic acid
PubChem CID88616837
Molecular FormulaC4H9O6P
Molecular Weight184.08 g/mol
Exact Mass184.01
IUPAC Name2-dimethoxyphosphoryloxyacetic acid
SMILESCOP(=O)(OC)OCC(=O)O
InChIInChI=1S/C4H9O6P/c1-8-11(7,9-2)10-3-4(5)6/h3H2,1-2H3,(H,5,6)
InChIKeyPJCRIAMZYINCKU-UHFFFAOYSA-N
XLogP0.49
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.08
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(carboxymethoxy)phosphoryloxy]acetic acid
CID 87435835
dimethyl 2-oxopropyl phosphate
CID 14469675
(3-methoxy-2-oxopropyl) dimethyl phosphate
CID 139615223
2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid
CID 165361262
[carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate
CID 170246060
chloromethyl dimethyl phosphate
CID 88544336
azane;2-[carboxymethoxy(carboxymethyl)phosphoryl]oxyacetic acid
CID 174733310
2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate
CID 140898366
2-methoxyacetic acid;titanium
CID 174298740
2-methoxyacetic acid;silver
CID 158784523
2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid
CID 59622912
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryloxyacetic acid?
The IUPAC name of 2-dimethoxyphosphoryloxyacetic acid (CID 88616837) is 2-dimethoxyphosphoryloxyacetic acid.
What is the SMILES notation for 2-dimethoxyphosphoryloxyacetic acid?
The canonical SMILES for 2-dimethoxyphosphoryloxyacetic acid is COP(=O)(OC)OCC(=O)O.
What is the InChIKey of 2-dimethoxyphosphoryloxyacetic acid?
The InChIKey is PJCRIAMZYINCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O6P/c1-8-11(7,9-2)10-3-4(5)6/h3H2,1-2H3,(H,5,6).
What are the key properties of 2-dimethoxyphosphoryloxyacetic acid?
2-dimethoxyphosphoryloxyacetic acid has a molecular weight of 184.08 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryloxyacetic acid is sourced from PubChem (CID 88616837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).