tris(3-hydroxypropyl) phosphate

C9H21O7P — CID 18380904

IUPACtris(3-hydroxypropyl) phosphate
SMILESO=P(OCCCO)(OCCCO)OCCCO
InChIInChI=1S/C9H21O7P/c10-4-1-7-14-17(13,15-8-2-5-11)16-9-3-6-12/h10-12H,1-9H2
InChIKeyRAHOVDYZPHFOSY-UHFFFAOYSA-N
MW272.23 g/mol
LogP0.29
Rot. Bonds12

About tris(3-hydroxypropyl) phosphate

tris(3-hydroxypropyl) phosphate (PubChem CID 18380904) has the molecular formula C9H21O7P and a molecular weight of 272.23 g/mol. Its IUPAC name is tris(3-hydroxypropyl) phosphate.

Molecular Properties

Compound Nametris(3-hydroxypropyl) phosphate
PubChem CID18380904
Molecular FormulaC9H21O7P
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Nametris(3-hydroxypropyl) phosphate
SMILESO=P(OCCCO)(OCCCO)OCCCO
InChIInChI=1S/C9H21O7P/c10-4-1-7-14-17(13,15-8-2-5-11)16-9-3-6-12/h10-12H,1-9H2
InChIKeyRAHOVDYZPHFOSY-UHFFFAOYSA-N
XLogP0.29
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(3-hydroxypropyl) phosphate?
The IUPAC name of tris(3-hydroxypropyl) phosphate (CID 18380904) is tris(3-hydroxypropyl) phosphate.
What is the SMILES notation for tris(3-hydroxypropyl) phosphate?
The canonical SMILES for tris(3-hydroxypropyl) phosphate is O=P(OCCCO)(OCCCO)OCCCO.
What is the InChIKey of tris(3-hydroxypropyl) phosphate?
The InChIKey is RAHOVDYZPHFOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O7P/c10-4-1-7-14-17(13,15-8-2-5-11)16-9-3-6-12/h10-12H,1-9H2.
What are the key properties of tris(3-hydroxypropyl) phosphate?
tris(3-hydroxypropyl) phosphate has a molecular weight of 272.23 g/mol, XLogP of 0.29, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-hydroxypropyl) phosphate is sourced from PubChem (CID 18380904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).