hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium

C6H18N2O6P2 — CID 139063738

IUPAChydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium
SMILESC1C[NH2+]CC[NH2+]1.O=P([O-])(O)CCP(=O)([O-])O
InChIInChI=1S/C4H10N2.C2H8O6P2/c1-2-6-4-3-5-1;3-9(4,5)1-2-10(6,7)8/h5-6H,1-4H2;1-2H2,(H2,3,4,5)(H2,6,7,8)
InChIKeyHPPSMAUVFHRSCV-UHFFFAOYSA-N
MW276.17 g/mol
LogP-4.80
Rot. Bonds3

About hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium

hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium (PubChem CID 139063738) has the molecular formula C6H18N2O6P2 and a molecular weight of 276.17 g/mol. Its IUPAC name is hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium.

Molecular Properties

Compound Namehydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium
PubChem CID139063738
Molecular FormulaC6H18N2O6P2
Molecular Weight276.17 g/mol
Exact Mass276.06
IUPAC Namehydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium
SMILESC1C[NH2+]CC[NH2+]1.O=P([O-])(O)CCP(=O)([O-])O
InChIInChI=1S/C4H10N2.C2H8O6P2/c1-2-6-4-3-5-1;3-9(4,5)1-2-10(6,7)8/h5-6H,1-4H2;1-2H2,(H2,3,4,5)(H2,6,7,8)
InChIKeyHPPSMAUVFHRSCV-UHFFFAOYSA-N
XLogP-4.80
TPSA153.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 5-4.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydroxy(2-hydroxyethyl)phosphinate
CID 25246079
tris(pyrrolidin-1-ium);phosphate
CID 156786945
bis[[hydroxy(oxido)phosphoryl]methyl]phosphinate
CID 3758106
hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate
CID 4242130
piperazine-1,4-diium diacetate
CID 139082665
oxalate;bis(piperazine-1,4-diium);dihydrate
CID 139070011
phosphonatomethylphosphonic acid
CID 136758999
[hydroxy(methoxy)phosphoryl] methyl hydrogen phosphate;[methoxy(oxido)phosphoryl] methyl phosphate;piperazine;piperazine-1,4-diium
CID 159186058
hexakis(dihydrogen phosphate);molybdenum
CID 18504359
dizinc;tetrakis(dihydrogen phosphate)
CID 161370337
tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))
CID 139063709
zinc bis(dihydrogen phosphate)
CID 11253952

Frequently Asked Questions

What is the IUPAC name of hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium?
The IUPAC name of hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium (CID 139063738) is hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium.
What is the SMILES notation for hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium?
The canonical SMILES for hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium is C1C[NH2+]CC[NH2+]1.O=P([O-])(O)CCP(=O)([O-])O.
What is the InChIKey of hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium?
The InChIKey is HPPSMAUVFHRSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2H8O6P2/c1-2-6-4-3-5-1;3-9(4,5)1-2-10(6,7)8/h5-6H,1-4H2;1-2H2,(H2,3,4,5)(H2,6,7,8).
What are the key properties of hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium?
hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium has a molecular weight of 276.17 g/mol, XLogP of -4.80, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-[hydroxy(oxido)phosphoryl]ethyl]phosphinate;piperazine-1,4-diium is sourced from PubChem (CID 139063738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).