Tris(dihydroxyphosphinylmethyl)phosphine oxide

C3H12O10P4 — CID 10687978

IUPACbis(phosphonomethyl)phosphorylmethylphosphonic acid
SMILESC(P(=O)(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C3H12O10P4/c4-14(1-15(5,6)7,2-16(8,9)10)3-17(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)
InChIKeyDABPUAVPEOJXHB-UHFFFAOYSA-N
MW332.02 g/mol
LogP-5.80
Rot. Bonds6

About Tris(dihydroxyphosphinylmethyl)phosphine oxide

Tris(dihydroxyphosphinylmethyl)phosphine oxide (PubChem CID 10687978) has the molecular formula C3H12O10P4 and a molecular weight of 332.02 g/mol. Its IUPAC name is bis(phosphonomethyl)phosphorylmethylphosphonic acid.

Molecular Properties

Compound NameTris(dihydroxyphosphinylmethyl)phosphine oxide
PubChem CID10687978
Molecular FormulaC3H12O10P4
Molecular Weight332.02 g/mol
Exact Mass331.94
IUPAC Namebis(phosphonomethyl)phosphorylmethylphosphonic acid
SMILESC(P(=O)(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C3H12O10P4/c4-14(1-15(5,6)7,2-16(8,9)10)3-17(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)
InChIKeyDABPUAVPEOJXHB-UHFFFAOYSA-N
XLogP-5.80
TPSA190.00 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms17
Complexity382

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.02
LogP ≤ 5-5.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[Hydroxy(phosphonomethyl)phosphoryl]methylphosphonic acid
CID 3758107
Azane;phosphonomethylphosphonic acid
CID 18674565
2,4,6,8,10,12-Hexaoxido-1,7-dioxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide
CID 20591808
2,4,6,8,10,12-Hexahydroxy-1,7-dioxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide
CID 20591809
[Hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid
CID 21303998
CID 23181229
CID 23181229
[Hydroxy-[[hydroxy-[hydroxy(methyl)phosphoryl]oxyphosphoryl]methyl]phosphoryl]oxy-methylphosphinic acid
CID 57994445
(2,6-Dihydroxy-2,4,6-trioxo-1,2lambda5,4lambda5,6lambda5-oxatriphosphinan-4-yl)methylphosphonic acid
CID 58776001
[Hydroxy-[hydroxy(phosphonomethyl)phosphoryl]oxyphosphoryl]methylphosphonic acid
CID 88030777
CID 88284091
CID 88284091
Bis(diphosphonomethyl-hydroxy-oxophosphanium);gadolinium
CID 88683908
Dimethylphosphoryl phosphono hydrogen phosphate
CID 89059610

Frequently Asked Questions

What is the IUPAC name of Tris(dihydroxyphosphinylmethyl)phosphine oxide?
The IUPAC name of Tris(dihydroxyphosphinylmethyl)phosphine oxide (CID 10687978) is bis(phosphonomethyl)phosphorylmethylphosphonic acid.
What is the SMILES notation for Tris(dihydroxyphosphinylmethyl)phosphine oxide?
The canonical SMILES for Tris(dihydroxyphosphinylmethyl)phosphine oxide is C(P(=O)(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O.
What is the InChIKey of Tris(dihydroxyphosphinylmethyl)phosphine oxide?
The InChIKey is DABPUAVPEOJXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12O10P4/c4-14(1-15(5,6)7,2-16(8,9)10)3-17(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13).
What are the key properties of Tris(dihydroxyphosphinylmethyl)phosphine oxide?
Tris(dihydroxyphosphinylmethyl)phosphine oxide has a molecular weight of 332.02 g/mol, XLogP of -5.80, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for Tris(dihydroxyphosphinylmethyl)phosphine oxide is sourced from PubChem (CID 10687978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).