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

C2H10O9P3+ — CID 173143710

IUPAChydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid
SMILESCC(O)(P(=O)(O)O)P(=O)(O)O.O=[PH+]O
InChIInChI=1S/C2H8O7P2.HO2P/c1-2(3,10(4,5)6)11(7,8)9;1-3-2/h3H,1H3,(H2,4,5,6)(H2,7,8,9);3H/p+1
InChIKeyGOWMEELYFFCNTO-UHFFFAOYSA-O
MW271.01 g/mol
LogP-1.07
Rot. Bonds2

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

hydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid (PubChem CID 173143710) has the molecular formula C2H10O9P3+ and a molecular weight of 271.01 g/mol. Its IUPAC name is hydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid.

Molecular Properties

Compound Namehydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid
PubChem CID173143710
Molecular FormulaC2H10O9P3+
Molecular Weight271.01 g/mol
Exact Mass270.95
IUPAC Namehydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid
SMILESCC(O)(P(=O)(O)O)P(=O)(O)O.O=[PH+]O
InChIInChI=1S/C2H8O7P2.HO2P/c1-2(3,10(4,5)6)11(7,8)9;1-3-2/h3H,1H3,(H2,4,5,6)(H2,7,8,9);3H/p+1
InChIKeyGOWMEELYFFCNTO-UHFFFAOYSA-O
XLogP-1.07
TPSA172.59 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.01
LogP ≤ 5-1.07
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

trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid
CID 173043131
dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid
CID 88726549
dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid
CID 71435964
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
[2-(dimethylamino)-1-hydroxy-1-phosphonoethyl]phosphonic acid
CID 10955930
(2-hydroxy-2,2-diphosphonoethyl)-dimethylsulfanium
CID 16750060
hydroxy(oxo)phosphanium;iridium
CID 159069661
(1-hydroxy-1-phosphonoethyl)phosphonic acid;2-phosphorosobutane-1,2,4-tricarboxylic acid
CID 174926124
2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid
CID 23533249

Frequently Asked Questions

What is the IUPAC name of hydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid?
The IUPAC name of hydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid (CID 173143710) is hydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid.
What is the SMILES notation for hydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid?
The canonical SMILES for hydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid is CC(O)(P(=O)(O)O)P(=O)(O)O.O=[PH+]O.
What is the InChIKey of hydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid?
The InChIKey is GOWMEELYFFCNTO-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H8O7P2.HO2P/c1-2(3,10(4,5)6)11(7,8)9;1-3-2/h3H,1H3,(H2,4,5,6)(H2,7,8,9);3H/p+1.
What are the key properties of hydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid?
hydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid has a molecular weight of 271.01 g/mol, XLogP of -1.07, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid is sourced from PubChem (CID 173143710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).