(E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid

C20H34O6 — CID 131840209

IUPAC(E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid
SMILESCCCCC/C=C\C[C@@H]1O[C@H]([C@H](O)/C=C/[C@H](O)CCCC(=O)O)C[C@@H]1O
InChIInChI=1S/C20H34O6/c1-2-3-4-5-6-7-10-18-17(23)14-19(26-18)16(22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18+,19+/m1/s1
InChIKeyFVGZEXPAMPPQBT-BXEXVORMSA-N
MW370.49 g/mol
LogP2.56
Rot. Bonds13

About (E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid

(E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid (PubChem CID 131840209) has the molecular formula C20H34O6 and a molecular weight of 370.49 g/mol. Its IUPAC name is (E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid.

Molecular Properties

Compound Name(E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid
PubChem CID131840209
Molecular FormulaC20H34O6
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Name(E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid
SMILESCCCCC/C=C\C[C@@H]1O[C@H]([C@H](O)/C=C/[C@H](O)CCCC(=O)O)C[C@@H]1O
InChIInChI=1S/C20H34O6/c1-2-3-4-5-6-7-10-18-17(23)14-19(26-18)16(22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18+,19+/m1/s1
InChIKeyFVGZEXPAMPPQBT-BXEXVORMSA-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 (E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

(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
(5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2S,4R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid
CID 131840148
(5Z,8R,9Z,11S)-8,11-dihydroxy-11-[(2R,4S,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,9-dienoic acid
CID 131840150
(E,4S,7S)-4,7-dihydroxy-7-[(2R,4S,5R)-4-hydroxy-5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]oxolan-2-yl]hept-5-enoic acid
CID 131841345
(4Z,7Z,10Z)-12-[(2R,3R,5R)-5-[(E,1S,4S)-1,4-dihydroxyhex-2-enyl]-3-hydroxyoxolan-2-yl]dodeca-4,7,10-trienoic acid
CID 131841110
(4Z,7Z,10Z)-12-[(2S,3R,5R)-5-[(E,1S,4R)-1,4-dihydroxyhex-2-enyl]-3-hydroxyoxolan-2-yl]dodeca-4,7,10-trienoic acid
CID 131841104
(4Z,7Z,10Z)-12-[(2S,3R,5R)-5-[(E,1S,4S)-1,4-dihydroxyhex-2-enyl]-3-hydroxyoxolan-2-yl]dodeca-4,7,10-trienoic acid
CID 131841108
(E,4S,7S)-4,7-dihydroxy-7-[(2S,4R,5R)-4-hydroxy-5-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]oxolan-2-yl]hept-5-enoic acid
CID 131841344
(E,9S,12S)-12-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-9,12-dihydroxydodec-10-enoic acid
CID 131839896
(Z)-6-[(2R,3R,5S)-5-[(1S,2E,4R,6Z,9Z)-1,4-dihydroxydodeca-2,6,9-trienyl]-3-hydroxyoxolan-2-yl]hex-4-enoic acid
CID 131841233
(4Z,7Z,10R,11E,13S)-10,13-dihydroxy-13-[(2R,4R,5S)-4-hydroxy-5-[(Z)-pent-2-enyl]oxolan-2-yl]trideca-4,7,11-trienoic acid
CID 131841200

Frequently Asked Questions

What is the IUPAC name of (E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid?
The IUPAC name of (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) is (E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid.
What is the SMILES notation for (E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid?
The canonical SMILES for (E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid is CCCCC/C=C\C[C@@H]1O[C@H]([C@H](O)/C=C/[C@H](O)CCCC(=O)O)C[C@@H]1O.
What is the InChIKey of (E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid?
The InChIKey is FVGZEXPAMPPQBT-BXEXVORMSA-N. The full InChI is InChI=1S/C20H34O6/c1-2-3-4-5-6-7-10-18-17(23)14-19(26-18)16(22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,18+,19+/m1/s1.
What are the key properties of (E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid?
(E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic 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 (E,5R,8R)-5,8-dihydroxy-8-[(2S,4S,5S)-4-hydroxy-5-[(Z)-oct-2-enyl]oxolan-2-yl]oct-6-enoic acid is sourced from PubChem (CID 131840209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).