2-[bis(carboxymethoxy)phosphoryloxy]acetic acid

C6H9O10P — CID 87435835

IUPAC2-[bis(carboxymethoxy)phosphoryloxy]acetic acid
SMILESO=C(O)COP(=O)(OCC(=O)O)OCC(=O)O
InChIInChI=1S/C6H9O10P/c7-4(8)1-14-17(13,15-2-5(9)10)16-3-6(11)12/h1-3H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyQGGVIWZVSXNJDL-UHFFFAOYSA-N
MW272.10 g/mol
LogP-0.60
Rot. Bonds9

About 2-[bis(carboxymethoxy)phosphoryloxy]acetic acid

2-[bis(carboxymethoxy)phosphoryloxy]acetic acid (PubChem CID 87435835) has the molecular formula C6H9O10P and a molecular weight of 272.10 g/mol. Its IUPAC name is 2-[bis(carboxymethoxy)phosphoryloxy]acetic acid.

Molecular Properties

Compound Name2-[bis(carboxymethoxy)phosphoryloxy]acetic acid
PubChem CID87435835
Molecular FormulaC6H9O10P
Molecular Weight272.10 g/mol
Exact Mass271.99
IUPAC Name2-[bis(carboxymethoxy)phosphoryloxy]acetic acid
SMILESO=C(O)COP(=O)(OCC(=O)O)OCC(=O)O
InChIInChI=1S/C6H9O10P/c7-4(8)1-14-17(13,15-2-5(9)10)16-3-6(11)12/h1-3H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyQGGVIWZVSXNJDL-UHFFFAOYSA-N
XLogP-0.60
TPSA156.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-dimethoxyphosphoryloxyacetic acid
CID 88616837
2-[carboxymethoxy(2-chloroethoxy)phosphoryl]oxyacetic acid
CID 165361262
tris(2-amino-2-oxoethyl) phosphate
CID 88773864
azane;2-[carboxymethoxy(carboxymethyl)phosphoryl]oxyacetic acid
CID 174733310
nitric acid;2-phosphonooxyacetic acid
CID 141120748
2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid
CID 59622912
acetic acid;triethyl phosphate
CID 161446956
carboxymethyl (trimethylazaniumyl)methyl phosphate
CID 59318554
[2-(dimethylamino)-2-oxoethyl] diethyl phosphate
CID 141322908
3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid
CID 154057194
2-(carboxymethoxy)acetic acid;sulfane
CID 158807579
2-(carboxymethoxy)acetic acid;hydrochloride
CID 174705448

Frequently Asked Questions

What is the IUPAC name of 2-[bis(carboxymethoxy)phosphoryloxy]acetic acid?
The IUPAC name of 2-[bis(carboxymethoxy)phosphoryloxy]acetic acid (CID 87435835) is 2-[bis(carboxymethoxy)phosphoryloxy]acetic acid.
What is the SMILES notation for 2-[bis(carboxymethoxy)phosphoryloxy]acetic acid?
The canonical SMILES for 2-[bis(carboxymethoxy)phosphoryloxy]acetic acid is O=C(O)COP(=O)(OCC(=O)O)OCC(=O)O.
What is the InChIKey of 2-[bis(carboxymethoxy)phosphoryloxy]acetic acid?
The InChIKey is QGGVIWZVSXNJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O10P/c7-4(8)1-14-17(13,15-2-5(9)10)16-3-6(11)12/h1-3H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of 2-[bis(carboxymethoxy)phosphoryloxy]acetic acid?
2-[bis(carboxymethoxy)phosphoryloxy]acetic acid has a molecular weight of 272.10 g/mol, XLogP of -0.60, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(carboxymethoxy)phosphoryloxy]acetic acid is sourced from PubChem (CID 87435835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).