sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate

C4H13N2NaO7P2 — CID 173148835

IUPACsodium;hydride;phosphono piperazin-1-yl hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)ON1CCNCC1.[H-].[Na+]
InChIInChI=1S/C4H12N2O7P2.Na.H/c7-14(8,9)13-15(10,11)12-6-3-1-5-2-4-6;;/h5H,1-4H2,(H,10,11)(H2,7,8,9);;/q;+1;-1
InChIKeyXGDQDVBRLRPYPM-UHFFFAOYSA-N
MW286.09 g/mol
LogP-3.85
Rot. Bonds4

About sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate

sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate (PubChem CID 173148835) has the molecular formula C4H13N2NaO7P2 and a molecular weight of 286.09 g/mol. Its IUPAC name is sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate.

Molecular Properties

Compound Namesodium;hydride;phosphono piperazin-1-yl hydrogen phosphate
PubChem CID173148835
Molecular FormulaC4H13N2NaO7P2
Molecular Weight286.09 g/mol
Exact Mass286.01
IUPAC Namesodium;hydride;phosphono piperazin-1-yl hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)ON1CCNCC1.[H-].[Na+]
InChIInChI=1S/C4H12N2O7P2.Na.H/c7-14(8,9)13-15(10,11)12-6-3-1-5-2-4-6;;/h5H,1-4H2,(H,10,11)(H2,7,8,9);;/q;+1;-1
InChIKeyXGDQDVBRLRPYPM-UHFFFAOYSA-N
XLogP-3.85
TPSA128.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 5-3.85
H-Bond Donors ≤ 54
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 sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate?
The IUPAC name of sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate (CID 173148835) is sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate.
What is the SMILES notation for sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate?
The canonical SMILES for sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate is O=P(O)(O)OP(=O)(O)ON1CCNCC1.[H-].[Na+].
What is the InChIKey of sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate?
The InChIKey is XGDQDVBRLRPYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O7P2.Na.H/c7-14(8,9)13-15(10,11)12-6-3-1-5-2-4-6;;/h5H,1-4H2,(H,10,11)(H2,7,8,9);;/q;+1;-1.
What are the key properties of sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate?
sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate has a molecular weight of 286.09 g/mol, XLogP of -3.85, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phosphono piperazin-1-yl hydrogen phosphate is sourced from PubChem (CID 173148835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).