2,3-dihydroxypropyl diethyl phosphate

C7H17O6P — CID 12583193

IUPAC2,3-dihydroxypropyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCC(O)CO
InChIInChI=1S/C7H17O6P/c1-3-11-14(10,12-4-2)13-6-7(9)5-8/h7-9H,3-6H2,1-2H3
InChIKeyMWQAWQSFGUKCKG-UHFFFAOYSA-N
MW228.18 g/mol
LogP0.54
Rot. Bonds8

About 2,3-dihydroxypropyl diethyl phosphate

2,3-dihydroxypropyl diethyl phosphate (PubChem CID 12583193) has the molecular formula C7H17O6P and a molecular weight of 228.18 g/mol. Its IUPAC name is 2,3-dihydroxypropyl diethyl phosphate.

Molecular Properties

Compound Name2,3-dihydroxypropyl diethyl phosphate
PubChem CID12583193
Molecular FormulaC7H17O6P
Molecular Weight228.18 g/mol
Exact Mass228.08
IUPAC Name2,3-dihydroxypropyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCC(O)CO
InChIInChI=1S/C7H17O6P/c1-3-11-14(10,12-4-2)13-6-7(9)5-8/h7-9H,3-6H2,1-2H3
InChIKeyMWQAWQSFGUKCKG-UHFFFAOYSA-N
XLogP0.54
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl diethyl phosphate?
The IUPAC name of 2,3-dihydroxypropyl diethyl phosphate (CID 12583193) is 2,3-dihydroxypropyl diethyl phosphate.
What is the SMILES notation for 2,3-dihydroxypropyl diethyl phosphate?
The canonical SMILES for 2,3-dihydroxypropyl diethyl phosphate is CCOP(=O)(OCC)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl diethyl phosphate?
The InChIKey is MWQAWQSFGUKCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O6P/c1-3-11-14(10,12-4-2)13-6-7(9)5-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 2,3-dihydroxypropyl diethyl phosphate?
2,3-dihydroxypropyl diethyl phosphate has a molecular weight of 228.18 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl diethyl phosphate is sourced from PubChem (CID 12583193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).