2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid

C6H10ClO8P — CID 165361262

IUPAC2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid
SMILESO=C(O)COP(=O)(OCCCl)OCC(=O)O
InChIInChI=1S/C6H10ClO8P/c7-1-2-13-16(12,14-3-5(8)9)15-4-6(10)11/h1-4H2,(H,8,9)(H,10,11)
InChIKeyOLEBMPSHUVYYTN-UHFFFAOYSA-N
MW276.56 g/mol
LogP0.55
Rot. Bonds9

About 2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid

2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid (PubChem CID 165361262) has the molecular formula C6H10ClO8P and a molecular weight of 276.56 g/mol. Its IUPAC name is 2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid.

Molecular Properties

Compound Name2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid
PubChem CID165361262
Molecular FormulaC6H10ClO8P
Molecular Weight276.56 g/mol
Exact Mass275.98
IUPAC Name2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid
SMILESO=C(O)COP(=O)(OCCCl)OCC(=O)O
InChIInChI=1S/C6H10ClO8P/c7-1-2-13-16(12,14-3-5(8)9)15-4-6(10)11/h1-4H2,(H,8,9)(H,10,11)
InChIKeyOLEBMPSHUVYYTN-UHFFFAOYSA-N
XLogP0.55
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid?
The IUPAC name of 2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid (CID 165361262) is 2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid.
What is the SMILES notation for 2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid?
The canonical SMILES for 2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid is O=C(O)COP(=O)(OCCCl)OCC(=O)O.
What is the InChIKey of 2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid?
The InChIKey is OLEBMPSHUVYYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClO8P/c7-1-2-13-16(12,14-3-5(8)9)15-4-6(10)11/h1-4H2,(H,8,9)(H,10,11).
What are the key properties of 2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid?
2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid has a molecular weight of 276.56 g/mol, XLogP of 0.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid is sourced from PubChem (CID 165361262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).