dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate

C4H13O10P3 — CID 155442140

IUPACdimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate
SMILESCOP(=O)(O)OP(=O)(OC)OP(=O)(OC)OC
InChIInChI=1S/C4H13O10P3/c1-9-15(5,6)13-17(8,12-4)14-16(7,10-2)11-3/h1-4H3,(H,5,6)
InChIKeyIBXUUXWCZNAINW-UHFFFAOYSA-N
MW314.06 g/mol
LogP1.92
Rot. Bonds8

About dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate

dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate (PubChem CID 155442140) has the molecular formula C4H13O10P3 and a molecular weight of 314.06 g/mol. Its IUPAC name is dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate.

Molecular Properties

Compound Namedimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate
PubChem CID155442140
Molecular FormulaC4H13O10P3
Molecular Weight314.06 g/mol
Exact Mass313.97
IUPAC Namedimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate
SMILESCOP(=O)(O)OP(=O)(OC)OP(=O)(OC)OC
InChIInChI=1S/C4H13O10P3/c1-9-15(5,6)13-17(8,12-4)14-16(7,10-2)11-3/h1-4H3,(H,5,6)
InChIKeyIBXUUXWCZNAINW-UHFFFAOYSA-N
XLogP1.92
TPSA126.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.06
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate
CID 174777676
dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate
CID 159233332
azane;methyl phosphono hydrogen phosphate
CID 175124465
tris(dimethyl hydrogen phosphate);titanium
CID 131876605
dimethyl hydrogen phosphate;methane
CID 88807117
dimethyl hydrogen phosphate;heptahydrate
CID 175149976
potassium;hydride;phosphoric acid;trimethyl phosphate
CID 174889020
sodium;azane;dimethyl hydrogen phosphate;hydride
CID 175474279
dimethoxyphosphoryl [methoxy(propan-2-yl)phosphoryl] methyl phosphate
CID 167268096
[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid
CID 129308435
fluoro methyl hydrogen phosphate
CID 87128109
2,2-bis(hydroxymethyl)propane-1,3-diol;dimethyl phosphono phosphate
CID 87840038

Frequently Asked Questions

What is the IUPAC name of dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate?
The IUPAC name of dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate (CID 155442140) is dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate.
What is the SMILES notation for dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate?
The canonical SMILES for dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate is COP(=O)(O)OP(=O)(OC)OP(=O)(OC)OC.
What is the InChIKey of dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate?
The InChIKey is IBXUUXWCZNAINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13O10P3/c1-9-15(5,6)13-17(8,12-4)14-16(7,10-2)11-3/h1-4H3,(H,5,6).
What are the key properties of dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate?
dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate has a molecular weight of 314.06 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate is sourced from PubChem (CID 155442140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).