7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid

C20H36FO5P — CID 91431287

IUPAC7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid
SMILESCCCCC(F)C(O)CC[C@H]1C(OP)CC(O)C1CC=CCCCC(=O)O
InChIInChI=1S/C20H36FO5P/c1-2-3-9-16(21)17(22)12-11-15-14(18(23)13-19(15)26-27)8-6-4-5-7-10-20(24)25/h4,6,14-19,22-23H,2-3,5,7-13,27H2,1H3,(H,24,25)/t14?,15-,16?,17?,18?,19?/m1/s1
InChIKeyLZYZPRDAFZLVGW-PZSZUQFASA-N
MW406.48 g/mol
LogP4.03
Rot. Bonds14

About 7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid

7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid (PubChem CID 91431287) has the molecular formula C20H36FO5P and a molecular weight of 406.48 g/mol. Its IUPAC name is 7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid
PubChem CID91431287
Molecular FormulaC20H36FO5P
Molecular Weight406.48 g/mol
Exact Mass406.23
IUPAC Name7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid
SMILESCCCCC(F)C(O)CC[C@H]1C(OP)CC(O)C1CC=CCCCC(=O)O
InChIInChI=1S/C20H36FO5P/c1-2-3-9-16(21)17(22)12-11-15-14(18(23)13-19(15)26-27)8-6-4-5-7-10-20(24)25/h4,6,14-19,22-23H,2-3,5,7-13,27H2,1H3,(H,24,25)/t14?,15-,16?,17?,18?,19?/m1/s1
InChIKeyLZYZPRDAFZLVGW-PZSZUQFASA-N
XLogP4.03
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

13,14-Dihydro-PGF2alpha
CID 5283080
(E)-7-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]hept-5-enoic acid
CID 6434009
15(R),19(R)-hydroxy Prostaglandin F2alpha
CID 52194030
19R-hydroxy-PGF2alpha
CID 5283047
S 1033
CID 23708775
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 68364019
methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate
CID 10451825
(Z)-7-[(1S,2S,3R,5S)-2-fluoro-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 12897357
methyl (Z)-7-[(1S,2S,3R,5S)-2-fluoro-3,5-dihydroxy-2-[(3R)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate
CID 24843992
methyl (Z)-7-[(1S,2S,3R,5S)-2-fluoro-3,5-dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate
CID 44380964
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate
CID 44461413
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxyoctyl]cyclopentyl]hept-5-enoate
CID 44461756

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid?
The IUPAC name of 7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid (CID 91431287) is 7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid.
What is the SMILES notation for 7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid?
The canonical SMILES for 7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid is CCCCC(F)C(O)CC[C@H]1C(OP)CC(O)C1CC=CCCCC(=O)O.
What is the InChIKey of 7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid?
The InChIKey is LZYZPRDAFZLVGW-PZSZUQFASA-N. The full InChI is InChI=1S/C20H36FO5P/c1-2-3-9-16(21)17(22)12-11-15-14(18(23)13-19(15)26-27)8-6-4-5-7-10-20(24)25/h4,6,14-19,22-23H,2-3,5,7-13,27H2,1H3,(H,24,25)/t14?,15-,16?,17?,18?,19?/m1/s1.
What are the key properties of 7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid?
7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid has a molecular weight of 406.48 g/mol, XLogP of 4.03, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-(4-fluoro-3-hydroxyoctyl)-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 91431287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).