methyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate

C4H13O7PSi — CID 174772902

IUPACmethyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate
SMILESCOP(=O)(O)OC(O)C(O)C(O)[SiH3]
InChIInChI=1S/C4H13O7PSi/c1-10-12(8,9)11-3(6)2(5)4(7)13/h2-7H,1,13H3,(H,8,9)
InChIKeyMPSVWDGCPGJBEG-UHFFFAOYSA-N
MW232.20 g/mol
LogP-2.89
Rot. Bonds5

About methyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate

methyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate (PubChem CID 174772902) has the molecular formula C4H13O7PSi and a molecular weight of 232.20 g/mol. Its IUPAC name is methyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate.

Molecular Properties

Compound Namemethyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate
PubChem CID174772902
Molecular FormulaC4H13O7PSi
Molecular Weight232.20 g/mol
Exact Mass232.02
IUPAC Namemethyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate
SMILESCOP(=O)(O)OC(O)C(O)C(O)[SiH3]
InChIInChI=1S/C4H13O7PSi/c1-10-12(8,9)11-3(6)2(5)4(7)13/h2-7H,1,13H3,(H,8,9)
InChIKeyMPSVWDGCPGJBEG-UHFFFAOYSA-N
XLogP-2.89
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 5-2.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tris(dimethyl hydrogen phosphate);titanium
CID 131876605
dimethyl hydrogen phosphate;methane
CID 88807117
dimethyl hydrogen phosphate;heptahydrate
CID 175149976
methyl pentan-2-yl hydrogen phosphate
CID 138486874
sodium;azane;dimethyl hydrogen phosphate;hydride
CID 175474279
1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate
CID 21145073
fluoro methyl hydrogen phosphate
CID 87128109
(1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate
CID 90329165
azane;methyl phosphono hydrogen phosphate
CID 175124465
azane;dimethyl hydrogen phosphate;ethanol
CID 174156402
(2,2-dihydroxyethylamino) methyl hydrogen phosphate
CID 175059276
carbanylium;methyl dihydrogen phosphate
CID 165007935

Frequently Asked Questions

What is the IUPAC name of methyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate?
The IUPAC name of methyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate (CID 174772902) is methyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate.
What is the SMILES notation for methyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate?
The canonical SMILES for methyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate is COP(=O)(O)OC(O)C(O)C(O)[SiH3].
What is the InChIKey of methyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate?
The InChIKey is MPSVWDGCPGJBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13O7PSi/c1-10-12(8,9)11-3(6)2(5)4(7)13/h2-7H,1,13H3,(H,8,9).
What are the key properties of methyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate?
methyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate has a molecular weight of 232.20 g/mol, XLogP of -2.89, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate is sourced from PubChem (CID 174772902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).