azane;phosphonomethylphosphonic acid

C2H15NO12P4 — CID 18674565

IUPACazane;phosphonomethylphosphonic acid
SMILESN.O=P(O)(O)CP(=O)(O)O.O=P(O)(O)CP(=O)(O)O
InChIInChI=1S/2CH6O6P2.H3N/c2*2-8(3,4)1-9(5,6)7;/h2*1H2,(H2,2,3,4)(H2,5,6,7);1H3
InChIKeyKUEXFZGCLUPWEI-UHFFFAOYSA-N
MW369.03 g/mol
LogP-1.24
Rot. Bonds4

About azane;phosphonomethylphosphonic acid

azane;phosphonomethylphosphonic acid (PubChem CID 18674565) has the molecular formula C2H15NO12P4 and a molecular weight of 369.03 g/mol. Its IUPAC name is azane;phosphonomethylphosphonic acid.

Molecular Properties

Compound Nameazane;phosphonomethylphosphonic acid
PubChem CID18674565
Molecular FormulaC2H15NO12P4
Molecular Weight369.03 g/mol
Exact Mass368.95
IUPAC Nameazane;phosphonomethylphosphonic acid
SMILESN.O=P(O)(O)CP(=O)(O)O.O=P(O)(O)CP(=O)(O)O
InChIInChI=1S/2CH6O6P2.H3N/c2*2-8(3,4)1-9(5,6)7;/h2*1H2,(H2,2,3,4)(H2,5,6,7);1H3
InChIKeyKUEXFZGCLUPWEI-UHFFFAOYSA-N
XLogP-1.24
TPSA265.12 Ų
H-Bond Donors9
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.03
LogP ≤ 5-1.24
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 162139470
CID 162139470
phosphonomethylphosphonic acid;phosphoric acid
CID 174390883
acetamide;phosphonomethylphosphonic acid
CID 19382971
pentane-1,5-diamine;phosphonomethylphosphonic acid
CID 20502841
azane;hydroxymethylphosphonic acid
CID 175028252
phosphonatomethylphosphonic acid
CID 136758999
ethylphosphonic acid;phosphoric acid
CID 87124135
ethylphosphonic acid;zirconium
CID 161117919
aminomethylphosphonic acid;azane
CID 173452353
azane;phosphoric acid
CID 174789402
sodium;ethylphosphonic acid;hydride
CID 173023675
dihydroxymethylphosphonic acid
CID 13034651

Frequently Asked Questions

What is the IUPAC name of azane;phosphonomethylphosphonic acid?
The IUPAC name of azane;phosphonomethylphosphonic acid (CID 18674565) is azane;phosphonomethylphosphonic acid.
What is the SMILES notation for azane;phosphonomethylphosphonic acid?
The canonical SMILES for azane;phosphonomethylphosphonic acid is N.O=P(O)(O)CP(=O)(O)O.O=P(O)(O)CP(=O)(O)O.
What is the InChIKey of azane;phosphonomethylphosphonic acid?
The InChIKey is KUEXFZGCLUPWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH6O6P2.H3N/c2*2-8(3,4)1-9(5,6)7;/h2*1H2,(H2,2,3,4)(H2,5,6,7);1H3.
What are the key properties of azane;phosphonomethylphosphonic acid?
azane;phosphonomethylphosphonic acid has a molecular weight of 369.03 g/mol, XLogP of -1.24, 4 rotatable bonds, 9 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phosphonomethylphosphonic acid is sourced from PubChem (CID 18674565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).