triphosphonomethylphosphonic acid

CH8O12P4 — CID 23341767

IUPACtriphosphonomethylphosphonic acid
SMILESO=P(O)(O)C(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/CH8O12P4/c2-14(3,4)1(15(5,6)7,16(8,9)10)17(11,12)13/h(H2,2,3,4)(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)
InChIKeyVFPOGIMPEBCFIC-UHFFFAOYSA-N
MW335.96 g/mol
LogP-1.69
Rot. Bonds4

About triphosphonomethylphosphonic acid

triphosphonomethylphosphonic acid (PubChem CID 23341767) has the molecular formula CH8O12P4 and a molecular weight of 335.96 g/mol. Its IUPAC name is triphosphonomethylphosphonic acid.

Molecular Properties

Compound Nametriphosphonomethylphosphonic acid
PubChem CID23341767
Molecular FormulaCH8O12P4
Molecular Weight335.96 g/mol
Exact Mass335.90
IUPAC Nametriphosphonomethylphosphonic acid
SMILESO=P(O)(O)C(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/CH8O12P4/c2-14(3,4)1(15(5,6)7,16(8,9)10)17(11,12)13/h(H2,2,3,4)(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)
InChIKeyVFPOGIMPEBCFIC-UHFFFAOYSA-N
XLogP-1.69
TPSA230.12 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.96
LogP ≤ 5-1.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[amino(diphosphono)methyl]phosphonic acid
CID 14009244
[dichloro(phosphono)methyl]phosphonic acid
CID 25419
1,1-difluoroethylphosphonic acid
CID 23183684
[nitroso(diphosphono)methyl]phosphonic acid
CID 57082499
[dibromo(fluoro)methyl]phosphonic acid
CID 143170448
phosphoric acid;silane
CID 174967101
phosphane;phosphoric acid
CID 172840180
phosphoric acid;hydrate
CID 22023151
CID 159816390
CID 159816390
hydrogen peroxide;phosphoric acid
CID 18509931
cerium;phosphoric acid
CID 90659592
methane;phosphoric acid
CID 173400304

Frequently Asked Questions

What is the IUPAC name of triphosphonomethylphosphonic acid?
The IUPAC name of triphosphonomethylphosphonic acid (CID 23341767) is triphosphonomethylphosphonic acid.
What is the SMILES notation for triphosphonomethylphosphonic acid?
The canonical SMILES for triphosphonomethylphosphonic acid is O=P(O)(O)C(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of triphosphonomethylphosphonic acid?
The InChIKey is VFPOGIMPEBCFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH8O12P4/c2-14(3,4)1(15(5,6)7,16(8,9)10)17(11,12)13/h(H2,2,3,4)(H2,5,6,7)(H2,8,9,10)(H2,11,12,13).
What are the key properties of triphosphonomethylphosphonic acid?
triphosphonomethylphosphonic acid has a molecular weight of 335.96 g/mol, XLogP of -1.69, 4 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triphosphonomethylphosphonic acid is sourced from PubChem (CID 23341767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).