[(2R)-2,3-dihydroxypropyl] diethyl phosphate

C7H17O6P — CID 101018748

IUPAC[(2R)-2,3-dihydroxypropyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC[C@H](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/t7-/m1/s1
InChIKeyMWQAWQSFGUKCKG-SSDOTTSWSA-N
MW228.18 g/mol
LogP0.54
Rot. Bonds8

About [(2R)-2,3-dihydroxypropyl] diethyl phosphate

[(2R)-2,3-dihydroxypropyl] diethyl phosphate (PubChem CID 101018748) has the molecular formula C7H17O6P and a molecular weight of 228.18 g/mol. Its IUPAC name is [(2R)-2,3-dihydroxypropyl] diethyl phosphate.

Molecular Properties

Compound Name[(2R)-2,3-dihydroxypropyl] diethyl phosphate
PubChem CID101018748
Molecular FormulaC7H17O6P
Molecular Weight228.18 g/mol
Exact Mass228.08
IUPAC Name[(2R)-2,3-dihydroxypropyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC[C@H](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/t7-/m1/s1
InChIKeyMWQAWQSFGUKCKG-SSDOTTSWSA-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 [(2R)-2,3-dihydroxypropyl] diethyl phosphate?
The IUPAC name of [(2R)-2,3-dihydroxypropyl] diethyl phosphate (CID 101018748) is [(2R)-2,3-dihydroxypropyl] diethyl phosphate.
What is the SMILES notation for [(2R)-2,3-dihydroxypropyl] diethyl phosphate?
The canonical SMILES for [(2R)-2,3-dihydroxypropyl] diethyl phosphate is CCOP(=O)(OCC)OC[C@H](O)CO.
What is the InChIKey of [(2R)-2,3-dihydroxypropyl] diethyl phosphate?
The InChIKey is MWQAWQSFGUKCKG-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of [(2R)-2,3-dihydroxypropyl] diethyl phosphate?
[(2R)-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 [(2R)-2,3-dihydroxypropyl] diethyl phosphate is sourced from PubChem (CID 101018748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).