carboxymethyl(oxido)phosphanium

C2H5O3P — CID 88801105

IUPACcarboxymethyl(oxido)phosphanium
SMILESO=C(O)C[PH2+][O-]
InChIInChI=1S/C2H5O3P/c3-2(4)1-6-5/h1,6H2,(H,3,4)
InChIKeyGXSOMRMBVNHZBI-UHFFFAOYSA-N
MW108.03 g/mol
LogP-1.24
Rot. Bonds2

About carboxymethyl(oxido)phosphanium

carboxymethyl(oxido)phosphanium (PubChem CID 88801105) has the molecular formula C2H5O3P and a molecular weight of 108.03 g/mol. Its IUPAC name is carboxymethyl(oxido)phosphanium.

Molecular Properties

Compound Namecarboxymethyl(oxido)phosphanium
PubChem CID88801105
Molecular FormulaC2H5O3P
Molecular Weight108.03 g/mol
Exact Mass108.00
IUPAC Namecarboxymethyl(oxido)phosphanium
SMILESO=C(O)C[PH2+][O-]
InChIInChI=1S/C2H5O3P/c3-2(4)1-6-5/h1,6H2,(H,3,4)
InChIKeyGXSOMRMBVNHZBI-UHFFFAOYSA-N
XLogP-1.24
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.03
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(carboxymethylamino)-oxidophosphanium
CID 102012650
carbonic acid;selane
CID 174299028
CID 158744301
CID 158744301
3-germylpropanoic acid
CID 174053696
2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid
CID 19895197
propanedioic acid;tungsten
CID 22081019
trisodium;butanedioic acid
CID 175698490
butanedioic acid;hydrochloride
CID 87113713
CID 87073401
CID 87073401
bis(butanedioic acid);silane
CID 173419629
tetrakis(2-hydroxyacetic acid);silane
CID 173225780
propanedioic acid;terbium
CID 87785742

Frequently Asked Questions

What is the IUPAC name of carboxymethyl(oxido)phosphanium?
The IUPAC name of carboxymethyl(oxido)phosphanium (CID 88801105) is carboxymethyl(oxido)phosphanium.
What is the SMILES notation for carboxymethyl(oxido)phosphanium?
The canonical SMILES for carboxymethyl(oxido)phosphanium is O=C(O)C[PH2+][O-].
What is the InChIKey of carboxymethyl(oxido)phosphanium?
The InChIKey is GXSOMRMBVNHZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O3P/c3-2(4)1-6-5/h1,6H2,(H,3,4).
What are the key properties of carboxymethyl(oxido)phosphanium?
carboxymethyl(oxido)phosphanium has a molecular weight of 108.03 g/mol, XLogP of -1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl(oxido)phosphanium is sourced from PubChem (CID 88801105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).