(5Z,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid

C20H34O6 — CID 131840280

IUPAC(5Z,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid
SMILESCCCCC[C@@H](O)[C@@H]1C[C@@H](O)[C@H](/C=C/[C@@H](O)C/C=C\CCCC(=O)O)O1
InChIInChI=1S/C20H34O6/c1-2-3-6-10-16(22)19-14-17(23)18(26-19)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-/m0/s1
InChIKeyIDPHQPFMXGIJHP-ZWAKLXPCSA-N
MW370.49 g/mol
LogP2.56
Rot. Bonds13

About (5Z,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid

(5Z,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid (PubChem CID 131840280) has the molecular formula C20H34O6 and a molecular weight of 370.49 g/mol. Its IUPAC name is (5Z,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid.

Molecular Properties

Compound Name(5Z,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid
PubChem CID131840280
Molecular FormulaC20H34O6
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Name(5Z,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid
SMILESCCCCC[C@@H](O)[C@@H]1C[C@@H](O)[C@H](/C=C/[C@@H](O)C/C=C\CCCC(=O)O)O1
InChIInChI=1S/C20H34O6/c1-2-3-6-10-16(22)19-14-17(23)18(26-19)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-/m0/s1
InChIKeyIDPHQPFMXGIJHP-ZWAKLXPCSA-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'}

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Related Compounds

(5Z,8R,9E)-8-hydroxy-10-[(2R,3R,5R)-3-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid
CID 131840271
(5Z,8R,9E)-8-hydroxy-10-[(2R,3S,5R)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid
CID 131840275
(5S)-5-hydroxy-5-[(2S,4S,5R)-4-hydroxy-5-[(1E,3R,5Z)-3-hydroxyundeca-1,5-dienyl]oxolan-2-yl]pentanoic acid
CID 131840322
(Z,8R)-8-hydroxy-8-[(2R,4S,5R)-4-hydroxy-5-[(E,3R)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid
CID 131840242
(Z,8R)-8-hydroxy-8-[(2S,4S,5R)-4-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]oxolan-2-yl]oct-5-enoic acid
CID 131840247
(Z,10R)-10-hydroxy-10-[(2S,4S,5S)-4-hydroxy-5-[(E,3R)-3-hydroxyoct-1-enyl]oxolan-2-yl]dec-7-enoic acid
CID 138980905
(E,5R)-5-hydroxy-7-[(2R,3S,5S)-3-hydroxy-5-[(Z,1R)-1-hydroxynon-3-enyl]oxolan-2-yl]hept-6-enoic acid
CID 131840086
(E,5R)-5-hydroxy-7-[(2S,3R,5S)-3-hydroxy-5-[(Z,1S)-1-hydroxynon-3-enyl]oxolan-2-yl]hept-6-enoic acid
CID 131840080
(4Z,7Z,10Z,13R,14E)-13-hydroxy-15-[(2S,3R,5R)-3-hydroxy-5-[(1S)-1-hydroxypropyl]oxolan-2-yl]pentadeca-4,7,10,14-tetraenoic acid
CID 131840845
(4Z,7Z,10Z,13S,14E)-13-hydroxy-15-[(2S,3S,5R)-3-hydroxy-5-[(1R)-1-hydroxypropyl]oxolan-2-yl]pentadeca-4,7,10,14-tetraenoic acid
CID 131840865
(4Z,7R,8E)-7-hydroxy-9-[(2S,3R,5S)-3-hydroxy-5-[(1S,3Z,6Z)-1-hydroxynona-3,6-dienyl]oxolan-2-yl]nona-4,8-dienoic acid
CID 131841004
(4Z,7Z,10S)-10-hydroxy-10-[(2R,4S,5R)-4-hydroxy-5-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]oxolan-2-yl]deca-4,7-dienoic acid
CID 131840932

Frequently Asked Questions

What is the IUPAC name of (5Z,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid?
The IUPAC name of (5Z,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid (CID 131840280) is (5Z,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid.
What is the SMILES notation for (5Z,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid?
The canonical SMILES for (5Z,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid is CCCCC[C@@H](O)[C@@H]1C[C@@H](O)[C@H](/C=C/[C@@H](O)C/C=C\CCCC(=O)O)O1.
What is the InChIKey of (5Z,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid?
The InChIKey is IDPHQPFMXGIJHP-ZWAKLXPCSA-N. The full InChI is InChI=1S/C20H34O6/c1-2-3-6-10-16(22)19-14-17(23)18(26-19)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-/m0/s1.
What are the key properties of (5Z,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid?
(5Z,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-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,8S,9E)-8-hydroxy-10-[(2S,3R,5S)-3-hydroxy-5-[(1R)-1-hydroxyhexyl]oxolan-2-yl]deca-5,9-dienoic acid is sourced from PubChem (CID 131840280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).