(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one

C11H19O6P — CID 56590706

IUPAC(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one
SMILESCCOP(=O)(OCC)[C@](O)(CC)[C@H]1C=CC(=O)O1
InChIInChI=1S/C11H19O6P/c1-4-11(13,9-7-8-10(12)17-9)18(14,15-5-2)16-6-3/h7-9,13H,4-6H2,1-3H3/t9-,11-/m1/s1
InChIKeyMXURIBMFMJXCIU-MWLCHTKSSA-N
MW278.24 g/mol
LogP1.83
Rot. Bonds7

About (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one

(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one (PubChem CID 56590706) has the molecular formula C11H19O6P and a molecular weight of 278.24 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one
PubChem CID56590706
Molecular FormulaC11H19O6P
Molecular Weight278.24 g/mol
Exact Mass278.09
IUPAC Name(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one
SMILESCCOP(=O)(OCC)[C@](O)(CC)[C@H]1C=CC(=O)O1
InChIInChI=1S/C11H19O6P/c1-4-11(13,9-7-8-10(12)17-9)18(14,15-5-2)16-6-3/h7-9,13H,4-6H2,1-3H3/t9-,11-/m1/s1
InChIKeyMXURIBMFMJXCIU-MWLCHTKSSA-N
XLogP1.83
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(1S)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one
CID 134853968
1-Phosphonooxybutan-2-yl non-2-enoate
CID 140296765
4-diethoxyphosphoryl-2-propyl-2H-furan-5-one
CID 11459677
(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one
CID 56590637
(2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one
CID 56590638
[2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-4-yl]oxy-methylphosphinic acid
CID 148888156
magnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate
CID 171699785
[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] dihydrogen phosphate
CID 171699786

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one (CID 56590706) is (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one is CCOP(=O)(OCC)[C@](O)(CC)[C@H]1C=CC(=O)O1.
What is the InChIKey of (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one?
The InChIKey is MXURIBMFMJXCIU-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H19O6P/c1-4-11(13,9-7-8-10(12)17-9)18(14,15-5-2)16-6-3/h7-9,13H,4-6H2,1-3H3/t9-,11-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one?
(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one has a molecular weight of 278.24 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one is sourced from PubChem (CID 56590706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).