tris(dimethyl hydrogen phosphate);titanium

C6H21O12P3Ti — CID 131876605

IUPACtris(dimethyl hydrogen phosphate);titanium
SMILESCOP(=O)(O)OC.COP(=O)(O)OC.COP(=O)(O)OC.[Ti]
InChIInChI=1S/3C2H7O4P.Ti/c3*1-5-7(3,4)6-2;/h3*1-2H3,(H,3,4);
InChIKeyATNQINUJBKDDFS-UHFFFAOYSA-N
MW426.01 g/mol
LogP1.14
Rot. Bonds6

About tris(dimethyl hydrogen phosphate);titanium

tris(dimethyl hydrogen phosphate);titanium (PubChem CID 131876605) has the molecular formula C6H21O12P3Ti and a molecular weight of 426.01 g/mol. Its IUPAC name is tris(dimethyl hydrogen phosphate);titanium.

Molecular Properties

Compound Nametris(dimethyl hydrogen phosphate);titanium
PubChem CID131876605
Molecular FormulaC6H21O12P3Ti
Molecular Weight426.01 g/mol
Exact Mass425.97
IUPAC Nametris(dimethyl hydrogen phosphate);titanium
SMILESCOP(=O)(O)OC.COP(=O)(O)OC.COP(=O)(O)OC.[Ti]
InChIInChI=1S/3C2H7O4P.Ti/c3*1-5-7(3,4)6-2;/h3*1-2H3,(H,3,4);
InChIKeyATNQINUJBKDDFS-UHFFFAOYSA-N
XLogP1.14
TPSA167.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.01
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

dimethyl hydrogen phosphate;heptahydrate
CID 175149976
dimethyl hydrogen phosphate;methane
CID 88807117
sodium;azane;dimethyl hydrogen phosphate;hydride
CID 175474279
azane;dimethyl hydrogen phosphate;ethanol
CID 174156402
fluoro methyl hydrogen phosphate
CID 87128109
diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride
CID 173401897
azane;methyl phosphono hydrogen phosphate
CID 175124465
dimethyl hydrogen phosphate;pyridine
CID 174868032
carbanylium;methyl dihydrogen phosphate
CID 165007935
azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate
CID 174777676
CID 59319489
CID 59319489
dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate
CID 155442140

Frequently Asked Questions

What is the IUPAC name of tris(dimethyl hydrogen phosphate);titanium?
The IUPAC name of tris(dimethyl hydrogen phosphate);titanium (CID 131876605) is tris(dimethyl hydrogen phosphate);titanium.
What is the SMILES notation for tris(dimethyl hydrogen phosphate);titanium?
The canonical SMILES for tris(dimethyl hydrogen phosphate);titanium is COP(=O)(O)OC.COP(=O)(O)OC.COP(=O)(O)OC.[Ti].
What is the InChIKey of tris(dimethyl hydrogen phosphate);titanium?
The InChIKey is ATNQINUJBKDDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H7O4P.Ti/c3*1-5-7(3,4)6-2;/h3*1-2H3,(H,3,4);.
What are the key properties of tris(dimethyl hydrogen phosphate);titanium?
tris(dimethyl hydrogen phosphate);titanium has a molecular weight of 426.01 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethyl hydrogen phosphate);titanium is sourced from PubChem (CID 131876605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).