dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid

C2H10O10P3+ — CID 88726549

IUPACdihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid
SMILESCC(O)(P(=O)(O)O)P(=O)(O)O.O=[P+](O)O
InChIInChI=1S/C2H8O7P2.HO3P/c1-2(3,10(4,5)6)11(7,8)9;1-4(2)3/h3H,1H3,(H2,4,5,6)(H2,7,8,9);(H-,1,2,3)/p+1
InChIKeyANTIXKCANYEYIB-UHFFFAOYSA-O
MW287.01 g/mol
LogP-1.36
Rot. Bonds2

About dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid

dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid (PubChem CID 88726549) has the molecular formula C2H10O10P3+ and a molecular weight of 287.01 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid
PubChem CID88726549
Molecular FormulaC2H10O10P3+
Molecular Weight287.01 g/mol
Exact Mass286.95
IUPAC Namedihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid
SMILESCC(O)(P(=O)(O)O)P(=O)(O)O.O=[P+](O)O
InChIInChI=1S/C2H8O7P2.HO3P/c1-2(3,10(4,5)6)11(7,8)9;1-4(2)3/h3H,1H3,(H2,4,5,6)(H2,7,8,9);(H-,1,2,3)/p+1
InChIKeyANTIXKCANYEYIB-UHFFFAOYSA-O
XLogP-1.36
TPSA192.82 Ų
H-Bond Donors7
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.01
LogP ≤ 5-1.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid
CID 173043131
hydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid
CID 173143710
dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid
CID 71435964
dihydroxy(oxo)phosphanium;phosphoric acid;zirconium
CID 173299921
dihydroxy(oxo)phosphanium;oxophosphanium;phosphoric acid
CID 162249587
butane-2,2,3,3-tetrol;phosphoric acid
CID 172831212
[1-hydroxy-1-[hydroxy(propan-2-yloxy)phosphoryl]ethyl]phosphonic acid
CID 54028975
(2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid
CID 14325355
1,1-difluoroethylphosphonic acid
CID 23183684
disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium
CID 172821618
(1-hydroxy-1-phosphonoethyl)phosphonic acid;2-phosphorosobutane-1,2,4-tricarboxylic acid
CID 174926124
hydroxy-oxo-sulfanylphosphanium;1,1,1-trichloro-2-methylpropan-2-ol
CID 158091534

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid?
The IUPAC name of dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid (CID 88726549) is dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid.
What is the SMILES notation for dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid?
The canonical SMILES for dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid is CC(O)(P(=O)(O)O)P(=O)(O)O.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid?
The InChIKey is ANTIXKCANYEYIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H8O7P2.HO3P/c1-2(3,10(4,5)6)11(7,8)9;1-4(2)3/h3H,1H3,(H2,4,5,6)(H2,7,8,9);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid?
dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid has a molecular weight of 287.01 g/mol, XLogP of -1.36, 2 rotatable bonds, 7 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid is sourced from PubChem (CID 88726549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).