(5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one

C13H19O6P — CID 10380171

IUPAC(5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one
SMILESCCOP(=O)(OCC)[C@H]1CCC(=O)O[C@H]1c1ccco1
InChIInChI=1S/C13H19O6P/c1-3-17-20(15,18-4-2)11-7-8-12(14)19-13(11)10-6-5-9-16-10/h5-6,9,11,13H,3-4,7-8H2,1-2H3/t11-,13-/m0/s1
InChIKeySWWUKKRBEASREN-AAEUAGOBSA-N
MW302.26 g/mol
LogP3.29
Rot. Bonds6

About (5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one

(5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one (PubChem CID 10380171) has the molecular formula C13H19O6P and a molecular weight of 302.26 g/mol. Its IUPAC name is (5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one.

Molecular Properties

Compound Name(5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one
PubChem CID10380171
Molecular FormulaC13H19O6P
Molecular Weight302.26 g/mol
Exact Mass302.09
IUPAC Name(5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one
SMILESCCOP(=O)(OCC)[C@H]1CCC(=O)O[C@H]1c1ccco1
InChIInChI=1S/C13H19O6P/c1-3-17-20(15,18-4-2)11-7-8-12(14)19-13(11)10-6-5-9-16-10/h5-6,9,11,13H,3-4,7-8H2,1-2H3/t11-,13-/m0/s1
InChIKeySWWUKKRBEASREN-AAEUAGOBSA-N
XLogP3.29
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione
CID 72820389
[(1R,2R)-2-diethoxyphosphorylcyclopropyl]benzene
CID 13128707
1-ethyl-2-(furan-2-yl)imidazolidin-4-one
CID 130626514
4-(furan-2-yl)-5-phenyloxolan-2-one
CID 144706049
[(1R,5R)-2-diethoxyphosphoryl-5-(furan-2-yl)cyclopent-2-en-1-yl]-phenylmethanone
CID 102163838
2-(furan-2-yl)-1-methylpyrrolidin-3-one
CID 83826796
(4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one
CID 102593358
2-[diethoxyphosphoryl(ethoxy)methyl]furan
CID 71381055
2-(furan-2-yl)-1,3-oxathiolan-5-one
CID 139228180
3-diethoxyphosphoryl-2-(furan-2-yl)-2,5-dihydro-1,5-benzothiazepine
CID 10618824
(4S)-4-(cyclohexylmethyl)-5-(furan-2-yl)-1,3-oxazolidin-2-one
CID 70049261
3-diethoxyphosphoryl-2-oxo-3a,6,7,7a-tetrahydro-3H-1-benzofuran-5-olate
CID 134857179

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one?
The IUPAC name of (5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one (CID 10380171) is (5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one.
What is the SMILES notation for (5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one?
The canonical SMILES for (5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one is CCOP(=O)(OCC)[C@H]1CCC(=O)O[C@H]1c1ccco1.
What is the InChIKey of (5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one?
The InChIKey is SWWUKKRBEASREN-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H19O6P/c1-3-17-20(15,18-4-2)11-7-8-12(14)19-13(11)10-6-5-9-16-10/h5-6,9,11,13H,3-4,7-8H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one?
(5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one has a molecular weight of 302.26 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-diethoxyphosphoryl-6-(furan-2-yl)oxan-2-one is sourced from PubChem (CID 10380171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).