azane;ethane-1,2-diol;phosphoric acid

C2H18N3O6P — CID 174794036

IUPACazane;ethane-1,2-diol;phosphoric acid
SMILESN.N.N.O=P(O)(O)O.OCCO
InChIInChI=1S/C2H6O2.3H3N.H3O4P/c3-1-2-4;;;;1-5(2,3)4/h3-4H,1-2H2;3*1H3;(H3,1,2,3,4)
InChIKeyWCQPFCSAZUICLV-UHFFFAOYSA-N
MW211.15 g/mol
LogP-1.47
Rot. Bonds1

About azane;ethane-1,2-diol;phosphoric acid

azane;ethane-1,2-diol;phosphoric acid (PubChem CID 174794036) has the molecular formula C2H18N3O6P and a molecular weight of 211.15 g/mol. Its IUPAC name is azane;ethane-1,2-diol;phosphoric acid.

Molecular Properties

Compound Nameazane;ethane-1,2-diol;phosphoric acid
PubChem CID174794036
Molecular FormulaC2H18N3O6P
Molecular Weight211.15 g/mol
Exact Mass211.09
IUPAC Nameazane;ethane-1,2-diol;phosphoric acid
SMILESN.N.N.O=P(O)(O)O.OCCO
InChIInChI=1S/C2H6O2.3H3N.H3O4P/c3-1-2-4;;;;1-5(2,3)4/h3-4H,1-2H2;3*1H3;(H3,1,2,3,4)
InChIKeyWCQPFCSAZUICLV-UHFFFAOYSA-N
XLogP-1.47
TPSA223.22 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500211.15
LogP ≤ 5-1.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 173222009
CID 172998917
CID 172998917
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2-aminoethanol;phosphane;phosphoric acid
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Frequently Asked Questions

What is the IUPAC name of azane;ethane-1,2-diol;phosphoric acid?
The IUPAC name of azane;ethane-1,2-diol;phosphoric acid (CID 174794036) is azane;ethane-1,2-diol;phosphoric acid.
What is the SMILES notation for azane;ethane-1,2-diol;phosphoric acid?
The canonical SMILES for azane;ethane-1,2-diol;phosphoric acid is N.N.N.O=P(O)(O)O.OCCO.
What is the InChIKey of azane;ethane-1,2-diol;phosphoric acid?
The InChIKey is WCQPFCSAZUICLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.3H3N.H3O4P/c3-1-2-4;;;;1-5(2,3)4/h3-4H,1-2H2;3*1H3;(H3,1,2,3,4).
What are the key properties of azane;ethane-1,2-diol;phosphoric acid?
azane;ethane-1,2-diol;phosphoric acid has a molecular weight of 211.15 g/mol, XLogP of -1.47, 1 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethane-1,2-diol;phosphoric acid is sourced from PubChem (CID 174794036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).