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

C15H24FO4P — CID 59963491

IUPAC(4R)-4-(4-fluoro-3-oxooctyl)-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/C15H24FO4P/c1-2-3-4-11(16)12(17)6-5-9-10-7-15(18)19-13(10)8-14(9)20-21/h9-11,13-14H,2-8,21H2,1H3/t9-,10?,11?,13?,14?/m1/s1
InChIKeyWOGLTVYWZKYIPN-BGVXAPIFSA-N
MW318.33 g/mol
LogP2.99
Rot. Bonds8

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

(4R)-4-(4-fluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 59963491) has the molecular formula C15H24FO4P and a molecular weight of 318.33 g/mol. Its IUPAC name is (4R)-4-(4-fluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(4R)-4-(4-fluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID59963491
Molecular FormulaC15H24FO4P
Molecular Weight318.33 g/mol
Exact Mass318.14
IUPAC Name(4R)-4-(4-fluoro-3-oxooctyl)-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/C15H24FO4P/c1-2-3-4-11(16)12(17)6-5-9-10-7-15(18)19-13(10)8-14(9)20-21/h9-11,13-14H,2-8,21H2,1H3/t9-,10?,11?,13?,14?/m1/s1
InChIKeyWOGLTVYWZKYIPN-BGVXAPIFSA-N
XLogP2.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
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-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (4R)-4-(4-fluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 59963491) is (4R)-4-(4-fluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (4R)-4-(4-fluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (4R)-4-(4-fluoro-3-oxooctyl)-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-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is WOGLTVYWZKYIPN-BGVXAPIFSA-N. The full InChI is InChI=1S/C15H24FO4P/c1-2-3-4-11(16)12(17)6-5-9-10-7-15(18)19-13(10)8-14(9)20-21/h9-11,13-14H,2-8,21H2,1H3/t9-,10?,11?,13?,14?/m1/s1.
What are the key properties of (4R)-4-(4-fluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(4R)-4-(4-fluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 318.33 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-fluoro-3-oxooctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 59963491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).