2-trihydroxysilylethyl dihydrogen phosphate

C2H9O7PSi — CID 140811074

IUPAC2-trihydroxysilylethyl dihydrogen phosphate
SMILESO=P(O)(O)OCC[Si](O)(O)O
InChIInChI=1S/C2H9O7PSi/c3-10(4,5)9-1-2-11(6,7)8/h6-8H,1-2H2,(H2,3,4,5)
InChIKeyIPSOREKCYTUXHS-UHFFFAOYSA-N
MW204.15 g/mol
LogP-1.99
Rot. Bonds4

About 2-trihydroxysilylethyl dihydrogen phosphate

2-trihydroxysilylethyl dihydrogen phosphate (PubChem CID 140811074) has the molecular formula C2H9O7PSi and a molecular weight of 204.15 g/mol. Its IUPAC name is 2-trihydroxysilylethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-trihydroxysilylethyl dihydrogen phosphate
PubChem CID140811074
Molecular FormulaC2H9O7PSi
Molecular Weight204.15 g/mol
Exact Mass203.99
IUPAC Name2-trihydroxysilylethyl dihydrogen phosphate
SMILESO=P(O)(O)OCC[Si](O)(O)O
InChIInChI=1S/C2H9O7PSi/c3-10(4,5)9-1-2-11(6,7)8/h6-8H,1-2H2,(H2,3,4,5)
InChIKeyIPSOREKCYTUXHS-UHFFFAOYSA-N
XLogP-1.99
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 5-1.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574
ethene;2-hydroxyethyl dihydrogen phosphate
CID 173023199
dicalcium;hydride;2-hydroxyethyl dihydrogen phosphate
CID 174231614
CID 170844828
CID 170844828
bis(2-phosphonooxyethyl) carbonate
CID 87299335
CID 174640608
CID 174640608
3-hydroxypropyl dihydrogen phosphate;phosphoric acid
CID 139534091
azane;butyl dihydrogen phosphate
CID 173333807
bis(2-trimethylsilylethyl) hydrogen phosphate
CID 87816838
CID 157010255
CID 157010255

Frequently Asked Questions

What is the IUPAC name of 2-trihydroxysilylethyl dihydrogen phosphate?
The IUPAC name of 2-trihydroxysilylethyl dihydrogen phosphate (CID 140811074) is 2-trihydroxysilylethyl dihydrogen phosphate.
What is the SMILES notation for 2-trihydroxysilylethyl dihydrogen phosphate?
The canonical SMILES for 2-trihydroxysilylethyl dihydrogen phosphate is O=P(O)(O)OCC[Si](O)(O)O.
What is the InChIKey of 2-trihydroxysilylethyl dihydrogen phosphate?
The InChIKey is IPSOREKCYTUXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9O7PSi/c3-10(4,5)9-1-2-11(6,7)8/h6-8H,1-2H2,(H2,3,4,5).
What are the key properties of 2-trihydroxysilylethyl dihydrogen phosphate?
2-trihydroxysilylethyl dihydrogen phosphate has a molecular weight of 204.15 g/mol, XLogP of -1.99, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trihydroxysilylethyl dihydrogen phosphate is sourced from PubChem (CID 140811074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).