7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid

C23H35FO5 — CID 10001608

IUPAC7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1[C@@H](CC[C@@H](O)CCc2cccc(F)c2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C23H35FO5/c24-17-7-5-6-16(14-17)10-11-18(25)12-13-20-19(21(26)15-22(20)27)8-3-1-2-4-9-23(28)29/h5-7,14,18-22,25-27H,1-4,8-13,15H2,(H,28,29)/t18-,19+,20+,21-,22+/m0/s1
InChIKeyYRTPAGJEAKGFJE-AHJNKEMKSA-N
MW410.53 g/mol
LogP3.68
Rot. Bonds13

About 7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid

7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid (PubChem CID 10001608) has the molecular formula C23H35FO5 and a molecular weight of 410.53 g/mol. Its IUPAC name is 7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid
PubChem CID10001608
Molecular FormulaC23H35FO5
Molecular Weight410.53 g/mol
Exact Mass410.25
IUPAC Name7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1[C@@H](CC[C@@H](O)CCc2cccc(F)c2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C23H35FO5/c24-17-7-5-6-16(14-17)10-11-18(25)12-13-20-19(21(26)15-22(20)27)8-3-1-2-4-9-23(28)29/h5-7,14,18-22,25-27H,1-4,8-13,15H2,(H,28,29)/t18-,19+,20+,21-,22+/m0/s1
InChIKeyYRTPAGJEAKGFJE-AHJNKEMKSA-N
XLogP3.68
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid?
The IUPAC name of 7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid (CID 10001608) is 7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid is O=C(O)CCCCCC[C@@H]1[C@@H](CC[C@@H](O)CCc2cccc(F)c2)[C@H](O)C[C@@H]1O.
What is the InChIKey of 7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid?
The InChIKey is YRTPAGJEAKGFJE-AHJNKEMKSA-N. The full InChI is InChI=1S/C23H35FO5/c24-17-7-5-6-16(14-17)10-11-18(25)12-13-20-19(21(26)15-22(20)27)8-3-1-2-4-9-23(28)29/h5-7,14,18-22,25-27H,1-4,8-13,15H2,(H,28,29)/t18-,19+,20+,21-,22+/m0/s1.
What are the key properties of 7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid?
7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid has a molecular weight of 410.53 g/mol, XLogP of 3.68, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,2R,3R,5S)-2-[(3R)-5-(3-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid is sourced from PubChem (CID 10001608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).