carboxymethoxy-dihydroxy-methoxyphosphanium

C3H8O6P+ — CID 46905067

IUPACcarboxymethoxy-dihydroxy-methoxyphosphanium
SMILESCO[P+](O)(O)OCC(=O)O
InChIInChI=1S/C3H7O6P/c1-8-10(6,7)9-2-3(4)5/h6-7H,2H2,1H3/p+1
InChIKeyYCKXBWFTKHRYIT-UHFFFAOYSA-O
MW171.06 g/mol
LogP-0.60
Rot. Bonds4

About carboxymethoxy-dihydroxy-methoxyphosphanium

carboxymethoxy-dihydroxy-methoxyphosphanium (PubChem CID 46905067) has the molecular formula C3H8O6P+ and a molecular weight of 171.06 g/mol. Its IUPAC name is carboxymethoxy-dihydroxy-methoxyphosphanium.

Molecular Properties

Compound Namecarboxymethoxy-dihydroxy-methoxyphosphanium
PubChem CID46905067
Molecular FormulaC3H8O6P+
Molecular Weight171.06 g/mol
Exact Mass171.01
IUPAC Namecarboxymethoxy-dihydroxy-methoxyphosphanium
SMILESCO[P+](O)(O)OCC(=O)O
InChIInChI=1S/C3H7O6P/c1-8-10(6,7)9-2-3(4)5/h6-7H,2H2,1H3/p+1
InChIKeyYCKXBWFTKHRYIT-UHFFFAOYSA-O
XLogP-0.60
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.06
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carboxymethoxy-dihydroxy-methoxyphosphanium?
The IUPAC name of carboxymethoxy-dihydroxy-methoxyphosphanium (CID 46905067) is carboxymethoxy-dihydroxy-methoxyphosphanium.
What is the SMILES notation for carboxymethoxy-dihydroxy-methoxyphosphanium?
The canonical SMILES for carboxymethoxy-dihydroxy-methoxyphosphanium is CO[P+](O)(O)OCC(=O)O.
What is the InChIKey of carboxymethoxy-dihydroxy-methoxyphosphanium?
The InChIKey is YCKXBWFTKHRYIT-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7O6P/c1-8-10(6,7)9-2-3(4)5/h6-7H,2H2,1H3/p+1.
What are the key properties of carboxymethoxy-dihydroxy-methoxyphosphanium?
carboxymethoxy-dihydroxy-methoxyphosphanium has a molecular weight of 171.06 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethoxy-dihydroxy-methoxyphosphanium is sourced from PubChem (CID 46905067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).