hydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium

C4H11N2O7P2+ — CID 88858307

IUPAChydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium
SMILESO=[P+](O)ON1CCN(OP(=O)(O)O)CC1
InChIInChI=1S/C4H10N2O7P2/c7-14(8)12-5-1-3-6(4-2-5)13-15(9,10)11/h1-4H2,(H2-,7,8,9,10,11)/p+1
InChIKeyDSWFDQXRMPPPSF-UHFFFAOYSA-O
MW261.09 g/mol
LogP-0.79
Rot. Bonds4

About hydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium

hydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium (PubChem CID 88858307) has the molecular formula C4H11N2O7P2+ and a molecular weight of 261.09 g/mol. Its IUPAC name is hydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium
PubChem CID88858307
Molecular FormulaC4H11N2O7P2+
Molecular Weight261.09 g/mol
Exact Mass261.00
IUPAC Namehydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium
SMILESO=[P+](O)ON1CCN(OP(=O)(O)O)CC1
InChIInChI=1S/C4H10N2O7P2/c7-14(8)12-5-1-3-6(4-2-5)13-15(9,10)11/h1-4H2,(H2-,7,8,9,10,11)/p+1
InChIKeyDSWFDQXRMPPPSF-UHFFFAOYSA-O
XLogP-0.79
TPSA119.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium?
The IUPAC name of hydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium (CID 88858307) is hydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium.
What is the SMILES notation for hydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium?
The canonical SMILES for hydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium is O=[P+](O)ON1CCN(OP(=O)(O)O)CC1.
What is the InChIKey of hydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium?
The InChIKey is DSWFDQXRMPPPSF-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2O7P2/c7-14(8)12-5-1-3-6(4-2-5)13-15(9,10)11/h1-4H2,(H2-,7,8,9,10,11)/p+1.
What are the key properties of hydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium?
hydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium has a molecular weight of 261.09 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(4-phosphonooxypiperazin-1-yl)oxyphosphanium is sourced from PubChem (CID 88858307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).