[hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid

C4H14O9P4 — CID 21303998

IUPAC[hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid
SMILESCP(=O)(O)CP(=O)(O)OP(=O)(O)CP(C)(=O)O
InChIInChI=1S/C4H14O9P4/c1-14(5,6)3-16(9,10)13-17(11,12)4-15(2,7)8/h3-4H2,1-2H3,(H,5,6)(H,7,8)(H,9,10)(H,11,12)
InChIKeyNCZGYRQOFGVWGI-UHFFFAOYSA-N
MW330.04 g/mol
LogP1.09
Rot. Bonds6

About [hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid

[hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid (PubChem CID 21303998) has the molecular formula C4H14O9P4 and a molecular weight of 330.04 g/mol. Its IUPAC name is [hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid.

Molecular Properties

Compound Name[hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid
PubChem CID21303998
Molecular FormulaC4H14O9P4
Molecular Weight330.04 g/mol
Exact Mass329.96
IUPAC Name[hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid
SMILESCP(=O)(O)CP(=O)(O)OP(=O)(O)CP(C)(=O)O
InChIInChI=1S/C4H14O9P4/c1-14(5,6)3-16(9,10)13-17(11,12)4-15(2,7)8/h3-4H2,1-2H3,(H,5,6)(H,7,8)(H,9,10)(H,11,12)
InChIKeyNCZGYRQOFGVWGI-UHFFFAOYSA-N
XLogP1.09
TPSA158.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.04
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[Hydroxy(phosphonomethyl)phosphoryl]methylphosphonic acid
CID 3758107
Tris(dihydroxyphosphinylmethyl)phosphine oxide
CID 10687978
[(Dimethylphosphinoyl)methyl]phosphonic acid
CID 3018272
[Hydroxy(methyl)phosphoryl]methylphosphonic acid
CID 12654627
Dimethylphosphoryloxy(methyl)phosphinic acid
CID 21301303
Methylbis(phosphonomethyl)phosphine
CID 129646336
Methylbis(dihydroxyphosphinylmethyl)phosphine oxide
CID 129688104
[Hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid
CID 12654621
[Hydroxy(oxido)phosphoryl] hydrogen phosphate;bis(tetramethylphosphanium)
CID 17843830
Hydron;tetramethylphosphanium;phosphate
CID 17843838
[(Dimethylphosphoryl)methyl]methylphosphinic acid
CID 20490046
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

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid?
The IUPAC name of [hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid (CID 21303998) is [hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid.
What is the SMILES notation for [hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid?
The canonical SMILES for [hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid is CP(=O)(O)CP(=O)(O)OP(=O)(O)CP(C)(=O)O.
What is the InChIKey of [hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid?
The InChIKey is NCZGYRQOFGVWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14O9P4/c1-14(5,6)3-16(9,10)13-17(11,12)4-15(2,7)8/h3-4H2,1-2H3,(H,5,6)(H,7,8)(H,9,10)(H,11,12).
What are the key properties of [hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid?
[hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid has a molecular weight of 330.04 g/mol, XLogP of 1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[hydroxy-[[hydroxy(methyl)phosphoryl]methyl]phosphoryl]oxyphosphoryl]methyl-methylphosphinic acid is sourced from PubChem (CID 21303998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).