1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium

C2H9O8P2+ — CID 87424977

IUPAC1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium
SMILESO=P(O)(O)C(O)CO.O=[P+](O)O
InChIInChI=1S/C2H7O5P.HO3P/c3-1-2(4)8(5,6)7;1-4(2)3/h2-4H,1H2,(H2,5,6,7);(H-,1,2,3)/p+1
InChIKeyYVJHHXYGSYZORC-UHFFFAOYSA-O
MW223.03 g/mol
LogP-1.90
Rot. Bonds2

About 1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium

1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium (PubChem CID 87424977) has the molecular formula C2H9O8P2+ and a molecular weight of 223.03 g/mol. Its IUPAC name is 1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Name1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium
PubChem CID87424977
Molecular FormulaC2H9O8P2+
Molecular Weight223.03 g/mol
Exact Mass222.98
IUPAC Name1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium
SMILESO=P(O)(O)C(O)CO.O=[P+](O)O
InChIInChI=1S/C2H7O5P.HO3P/c3-1-2(4)8(5,6)7;1-4(2)3/h2-4H,1H2,(H2,5,6,7);(H-,1,2,3)/p+1
InChIKeyYVJHHXYGSYZORC-UHFFFAOYSA-O
XLogP-1.90
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.03
LogP ≤ 5-1.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxypropylphosphonic acid
CID 12625401
dihydroxy(oxo)phosphanium;propane-1,2,3-triol
CID 87878528
1-aminoethylphosphonic acid;dihydroxy(oxo)phosphanium;stannane;technetium
CID 173448755
[1-hydroxy-2-(methylamino)ethyl]phosphonic acid
CID 22237910
(2-hydroxy-2-phosphonoethyl)-trimethylazanium
CID 19437707
CID 88618709
CID 88618709
dihydroxy(oxo)phosphanium;phosphoric acid;zirconium
CID 173299921
[(2S)-1,2,3-trihydroxypropyl]phosphonic acid
CID 18603786
hydrazine;(1-hydroxy-2-phosphonoethyl)phosphonic acid
CID 158563250
(1-hydroxy-3,3-diphosphonopropyl)phosphonic acid
CID 6452463
calcium;(2-hydroxy-2-phosphonoethyl)-trimethylazanium;tetrahydrate
CID 23618348
4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium
CID 123199268

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium?
The IUPAC name of 1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium (CID 87424977) is 1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium.
What is the SMILES notation for 1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium?
The canonical SMILES for 1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium is O=P(O)(O)C(O)CO.O=[P+](O)O.
What is the InChIKey of 1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium?
The InChIKey is YVJHHXYGSYZORC-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H7O5P.HO3P/c3-1-2(4)8(5,6)7;1-4(2)3/h2-4H,1H2,(H2,5,6,7);(H-,1,2,3)/p+1.
What are the key properties of 1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium?
1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium has a molecular weight of 223.03 g/mol, XLogP of -1.90, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 87424977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).