(5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid

C20H34O6 — CID 131840148

IUPAC(5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid
SMILESCCCCC[C@H]1O[C@H]([C@@H](O)/C=C\[C@H](O)C/C=C\CCCC(=O)O)C[C@H]1O
InChIInChI=1S/C20H34O6/c1-2-3-6-10-18-17(23)14-19(26-18)16(22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12-/t15-,16+,17-,18-,19+/m1/s1
InChIKeyBFVKEJCJLZOPHW-RBQRPYSNSA-N
MW370.49 g/mol
LogP2.56
Rot. Bonds13

About (5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid

(5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid (PubChem CID 131840148) has the molecular formula C20H34O6 and a molecular weight of 370.49 g/mol. Its IUPAC name is (5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid.

Molecular Properties

Compound Name(5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid
PubChem CID131840148
Molecular FormulaC20H34O6
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Name(5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid
SMILESCCCCC[C@H]1O[C@H]([C@@H](O)/C=C\[C@H](O)C/C=C\CCCC(=O)O)C[C@H]1O
InChIInChI=1S/C20H34O6/c1-2-3-6-10-18-17(23)14-19(26-18)16(22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12-/t15-,16+,17-,18-,19+/m1/s1
InChIKeyBFVKEJCJLZOPHW-RBQRPYSNSA-N
XLogP2.56
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid with MolForge

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Related Compounds

(5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2R,4S,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid
CID 131840150
(Z)-7-[(2R,3S,5S)-5-[(E,1R,4R)-1,4-dihydroxynon-2-enyl]-3-hydroxyoxolan-2-yl]hept-5-enoic acid
CID 131840125
(Z)-7-[(2R,3S,5S)-5-[(E,1S,4R)-1,4-dihydroxynon-2-enyl]-3-hydroxyoxolan-2-yl]hept-5-enoic acid
CID 131840132
(E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid
CID 131840209
8-[(2S,3S,5R)-5-[(E,1R,4S)-1,4-dihydroxyhex-2-enyl]-3-hydroxyoxolan-2-yl]octanoic acid
CID 134812165
8-[(2R,3S,5R)-5-[(E,1R,4S)-1,4-dihydroxyhex-2-enyl]-3-hydroxyoxolan-2-yl]octanoic acid
CID 134812167
8-[(2R,3R,5S)-5-[(E,1R,4R)-1,4-dihydroxyhex-2-enyl]-3-hydroxyoxolan-2-yl]octanoic acid
CID 134812146
8-[(2R,3S,5S)-5-[(E,1R,4S)-1,4-dihydroxyhex-2-enyl]-3-hydroxyoxolan-2-yl]octanoic acid
CID 134812166
(4Z,7Z,10Z,13S,14E,16R)-16-[(2S,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-13,16-dihydroxyhexadeca-4,7,10,14-tetraenoic acid
CID 131841149
(4Z,7Z,10Z,13S,14E,16R)-16-[(2R,4S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-13,16-dihydroxyhexadeca-4,7,10,14-tetraenoic acid
CID 131841148
(4Z,7Z,10Z,13R,14E,16R)-16-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-13,16-dihydroxyhexadeca-4,7,10,14-tetraenoic acid
CID 131841131
(4Z,7S,8E,10R)-7,10-dihydroxy-10-[(2S,4S,5S)-4-hydroxy-5-[(2Z,5Z)-octa-2,5-dienyl]oxolan-2-yl]deca-4,8-dienoic acid
CID 131841278

Frequently Asked Questions

What is the IUPAC name of (5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid?
The IUPAC name of (5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid (CID 131840148) is (5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid.
What is the SMILES notation for (5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid?
The canonical SMILES for (5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid is CCCCC[C@H]1O[C@H]([C@@H](O)/C=C\[C@H](O)C/C=C\CCCC(=O)O)C[C@H]1O.
What is the InChIKey of (5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid?
The InChIKey is BFVKEJCJLZOPHW-RBQRPYSNSA-N. The full InChI is InChI=1S/C20H34O6/c1-2-3-6-10-18-17(23)14-19(26-18)16(22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12-/t15-,16+,17-,18-,19+/m1/s1.
What are the key properties of (5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid?
(5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid has a molecular weight of 370.49 g/mol, XLogP of 2.56, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid is sourced from PubChem (CID 131840148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).