(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

C15H28FO4P — CID 59963474

IUPAC(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCC(F)C(O)CC[C@H]1C(OP)CC2OC(O)CC21
InChIInChI=1S/C15H28FO4P/c1-2-3-4-11(16)12(17)6-5-9-10-7-15(18)19-13(10)8-14(9)20-21/h9-15,17-18H,2-8,21H2,1H3/t9-,10?,11?,12?,13?,14?,15?/m1/s1
InChIKeyKPSUEAPLQKDOLJ-FCKCIMNISA-N
MW322.36 g/mol
LogP2.57
Rot. Bonds8

About (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 59963474) has the molecular formula C15H28FO4P and a molecular weight of 322.36 g/mol. Its IUPAC name is (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID59963474
Molecular FormulaC15H28FO4P
Molecular Weight322.36 g/mol
Exact Mass322.17
IUPAC Name(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCC(F)C(O)CC[C@H]1C(OP)CC2OC(O)CC21
InChIInChI=1S/C15H28FO4P/c1-2-3-4-11(16)12(17)6-5-9-10-7-15(18)19-13(10)8-14(9)20-21/h9-15,17-18H,2-8,21H2,1H3/t9-,10?,11?,12?,13?,14?,15?/m1/s1
InChIKeyKPSUEAPLQKDOLJ-FCKCIMNISA-N
XLogP2.57
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 59963474) is (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol 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-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is KPSUEAPLQKDOLJ-FCKCIMNISA-N. The full InChI is InChI=1S/C15H28FO4P/c1-2-3-4-11(16)12(17)6-5-9-10-7-15(18)19-13(10)8-14(9)20-21/h9-15,17-18H,2-8,21H2,1H3/t9-,10?,11?,12?,13?,14?,15?/m1/s1.
What are the key properties of (4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 322.36 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 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-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 59963474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).