tris(2-hydroxyethyl) phosphate

C6H15O7P — CID 14892896

IUPACtris(2-hydroxyethyl) phosphate
SMILESO=P(OCCO)(OCCO)OCCO
InChIInChI=1S/C6H15O7P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h7-9H,1-6H2
InChIKeyMGEISCKTUGVOHN-UHFFFAOYSA-N
MW230.15 g/mol
LogP-0.88
Rot. Bonds9

About tris(2-hydroxyethyl) phosphate

tris(2-hydroxyethyl) phosphate (PubChem CID 14892896) has the molecular formula C6H15O7P and a molecular weight of 230.15 g/mol. Its IUPAC name is tris(2-hydroxyethyl) phosphate.

Molecular Properties

Compound Nametris(2-hydroxyethyl) phosphate
PubChem CID14892896
Molecular FormulaC6H15O7P
Molecular Weight230.15 g/mol
Exact Mass230.06
IUPAC Nametris(2-hydroxyethyl) phosphate
SMILESO=P(OCCO)(OCCO)OCCO
InChIInChI=1S/C6H15O7P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h7-9H,1-6H2
InChIKeyMGEISCKTUGVOHN-UHFFFAOYSA-N
XLogP-0.88
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethyl) phosphate?
The IUPAC name of tris(2-hydroxyethyl) phosphate (CID 14892896) is tris(2-hydroxyethyl) phosphate.
What is the SMILES notation for tris(2-hydroxyethyl) phosphate?
The canonical SMILES for tris(2-hydroxyethyl) phosphate is O=P(OCCO)(OCCO)OCCO.
What is the InChIKey of tris(2-hydroxyethyl) phosphate?
The InChIKey is MGEISCKTUGVOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O7P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h7-9H,1-6H2.
What are the key properties of tris(2-hydroxyethyl) phosphate?
tris(2-hydroxyethyl) phosphate has a molecular weight of 230.15 g/mol, XLogP of -0.88, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethyl) phosphate is sourced from PubChem (CID 14892896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).