ethane-1,2-diol;hydroxy(oxo)phosphanium

C2H8O4P+ — CID 158112616

IUPACethane-1,2-diol;hydroxy(oxo)phosphanium
SMILESO=[PH+]O.OCCO
InChIInChI=1S/C2H6O2.HO2P/c3-1-2-4;1-3-2/h3-4H,1-2H2;3H/p+1
InChIKeyKDXGJKQEHYIWHH-UHFFFAOYSA-O
MW127.06 g/mol
LogP-1.11
Rot. Bonds1

About ethane-1,2-diol;hydroxy(oxo)phosphanium

ethane-1,2-diol;hydroxy(oxo)phosphanium (PubChem CID 158112616) has the molecular formula C2H8O4P+ and a molecular weight of 127.06 g/mol. Its IUPAC name is ethane-1,2-diol;hydroxy(oxo)phosphanium.

Molecular Properties

Compound Nameethane-1,2-diol;hydroxy(oxo)phosphanium
PubChem CID158112616
Molecular FormulaC2H8O4P+
Molecular Weight127.06 g/mol
Exact Mass127.02
IUPAC Nameethane-1,2-diol;hydroxy(oxo)phosphanium
SMILESO=[PH+]O.OCCO
InChIInChI=1S/C2H6O2.HO2P/c3-1-2-4;1-3-2/h3-4H,1-2H2;3H/p+1
InChIKeyKDXGJKQEHYIWHH-UHFFFAOYSA-O
XLogP-1.11
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.06
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;hydroxy(oxo)phosphanium?
The IUPAC name of ethane-1,2-diol;hydroxy(oxo)phosphanium (CID 158112616) is ethane-1,2-diol;hydroxy(oxo)phosphanium.
What is the SMILES notation for ethane-1,2-diol;hydroxy(oxo)phosphanium?
The canonical SMILES for ethane-1,2-diol;hydroxy(oxo)phosphanium is O=[PH+]O.OCCO.
What is the InChIKey of ethane-1,2-diol;hydroxy(oxo)phosphanium?
The InChIKey is KDXGJKQEHYIWHH-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6O2.HO2P/c3-1-2-4;1-3-2/h3-4H,1-2H2;3H/p+1.
What are the key properties of ethane-1,2-diol;hydroxy(oxo)phosphanium?
ethane-1,2-diol;hydroxy(oxo)phosphanium has a molecular weight of 127.06 g/mol, XLogP of -1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;hydroxy(oxo)phosphanium is sourced from PubChem (CID 158112616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).