4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one

C18H20N2O4P+ — CID 118950288

IUPAC4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one
SMILESO=C1CC(O)([P+]2(O)N(c3ccccc3)CCN2c2ccccc2)CO1
InChIInChI=1S/C18H20N2O4P/c21-17-13-18(22,14-24-17)25(23)19(15-7-3-1-4-8-15)11-12-20(25)16-9-5-2-6-10-16/h1-10,22-23H,11-14H2/q+1
InChIKeyCAGGIJOQHJHGMX-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.40
Rot. Bonds3

About 4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one

4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one (PubChem CID 118950288) has the molecular formula C18H20N2O4P+ and a molecular weight of 359.34 g/mol. Its IUPAC name is 4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one.

Molecular Properties

Compound Name4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one
PubChem CID118950288
Molecular FormulaC18H20N2O4P+
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC Name4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one
SMILESO=C1CC(O)([P+]2(O)N(c3ccccc3)CCN2c2ccccc2)CO1
InChIInChI=1S/C18H20N2O4P/c21-17-13-18(22,14-24-17)25(23)19(15-7-3-1-4-8-15)11-12-20(25)16-9-5-2-6-10-16/h1-10,22-23H,11-14H2/q+1
InChIKeyCAGGIJOQHJHGMX-UHFFFAOYSA-N
XLogP2.40
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 2-[1-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)ethenyl]butanedioate
CID 118949789
4-Hydroxy-4-(2-oxo-1,3-diphenyl-1,3,2lambda5-diazaphospholidin-2-yl)oxolan-2-one
CID 118950286
3-(2-Hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)but-3-enoic acid
CID 118950561
Ethyl 2-[1-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)ethenyl]pent-4-enoate
CID 118950590
Ethyl 4-(2-oxo-1,3-diphenyl-1,3,2lambda5-diazaphospholidin-2-yl)pent-4-enoate
CID 134471362
3-[3-(2-Oxo-1,3-diphenyl-1,3,2lambda5-diazaphospholidin-2-yl)but-3-enoyl]oxolan-2-one
CID 134475407
Ethyl 3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)but-3-enoate
CID 146494016
Ethyl 3-(2-oxo-1,3-diphenyl-1,3,2lambda5-diazaphospholidin-2-yl)but-3-enoate;4-hydroxy-4-(2-oxo-1,3-diphenyl-1,3,2lambda5-diazaphospholidin-2-yl)oxolan-2-one
CID 157412870

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one?
The IUPAC name of 4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one (CID 118950288) is 4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one.
What is the SMILES notation for 4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one?
The canonical SMILES for 4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one is O=C1CC(O)([P+]2(O)N(c3ccccc3)CCN2c2ccccc2)CO1.
What is the InChIKey of 4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one?
The InChIKey is CAGGIJOQHJHGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4P/c21-17-13-18(22,14-24-17)25(23)19(15-7-3-1-4-8-15)11-12-20(25)16-9-5-2-6-10-16/h1-10,22-23H,11-14H2/q+1.
What are the key properties of 4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one?
4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one has a molecular weight of 359.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)oxolan-2-one is sourced from PubChem (CID 118950288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).