(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C15H26FO4P — CID 59963489

IUPAC(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCCCCC(F)C(O)CC[C@H]1C(OP)CC2OC(=O)CC21
InChIInChI=1S/C15H26FO4P/c1-2-3-4-11(16)12(17)6-5-9-10-7-15(18)19-13(10)8-14(9)20-21/h9-14,17H,2-8,21H2,1H3/t9-,10?,11?,12?,13?,14?/m1/s1
InChIKeyLTVRMHNJYBUBEF-UIBFTYAWSA-N
MW320.34 g/mol
LogP2.78
Rot. Bonds8

About (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 59963489) has the molecular formula C15H26FO4P and a molecular weight of 320.34 g/mol. Its IUPAC name is (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID59963489
Molecular FormulaC15H26FO4P
Molecular Weight320.34 g/mol
Exact Mass320.16
IUPAC Name(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCCCCC(F)C(O)CC[C@H]1C(OP)CC2OC(=O)CC21
InChIInChI=1S/C15H26FO4P/c1-2-3-4-11(16)12(17)6-5-9-10-7-15(18)19-13(10)8-14(9)20-21/h9-14,17H,2-8,21H2,1H3/t9-,10?,11?,12?,13?,14?/m1/s1
InChIKeyLTVRMHNJYBUBEF-UIBFTYAWSA-N
XLogP2.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one with MolForge

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Related Compounds

(3aR,4S,5R,6aS)-(-)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
CID 2724453
(3aS,4R,5S,6aR)-5-hydroxy-4,5-dimethyl-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 86294723
Pestalotiolactone A
CID 132496982
Myrotheciumone A
CID 139585840
Gelsemiol
CID 10375526
Pestalotiolactone D
CID 146683067
(+)-Corey lactone
CID 11084331
(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl acetate
CID 10889249
(3aR,4S,5R,6aS)-Hexahydro-4-(hydroxymethyl)-5-methoxy-2H-cyclopentafuran-2-one
CID 25020819
(3aS,5S,6aR)-5-hydroxy-3a,4,4-trimethyl-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one
CID 122400506
(1S,5R,6R,7R)-6-[4(RS)-fluoro-3-oxo-1-octyl]-7-hydroxy-2-oxabicyclo[3.3.0]octane-3-one
CID 14855204
[(3aR,4R,5R,6aS)-4-(5,5-difluoro-4-hydroxyoctyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 18652545

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 59963489) is (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is CCCCC(F)C(O)CC[C@H]1C(OP)CC2OC(=O)CC21.
What is the InChIKey of (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is LTVRMHNJYBUBEF-UIBFTYAWSA-N. The full InChI is InChI=1S/C15H26FO4P/c1-2-3-4-11(16)12(17)6-5-9-10-7-15(18)19-13(10)8-14(9)20-21/h9-14,17H,2-8,21H2,1H3/t9-,10?,11?,12?,13?,14?/m1/s1.
What are the key properties of (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 320.34 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 59963489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).