(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid

C20H30O6 — CID 53477462

IUPAC(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid
SMILESCC(O)[C@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H30O6/c1-16(21)19(24)14-8-4-7-12-17(22)10-5-2-3-6-11-18(23)13-9-15-20(25)26/h2-8,10-11,14,16-19,21-24H,9,12-13,15H2,1H3,(H,25,26)/b3-2+,7-4-,10-5+,11-6-,14-8+/t16?,17-,18+,19+/m0/s1
InChIKeyBSRCJEQUGISTPZ-ZSPCSQLQSA-N
MW366.45 g/mol
LogP1.88
Rot. Bonds13

About (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid

(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid (PubChem CID 53477462) has the molecular formula C20H30O6 and a molecular weight of 366.45 g/mol. Its IUPAC name is (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid.

Molecular Properties

Compound Name(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid
PubChem CID53477462
Molecular FormulaC20H30O6
Molecular Weight366.45 g/mol
Exact Mass366.20
IUPAC Name(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid
SMILESCC(O)[C@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H30O6/c1-16(21)19(24)14-8-4-7-12-17(22)10-5-2-3-6-11-18(23)13-9-15-20(25)26/h2-8,10-11,14,16-19,21-24H,9,12-13,15H2,1H3,(H,25,26)/b3-2+,7-4-,10-5+,11-6-,14-8+/t16?,17-,18+,19+/m0/s1
InChIKeyBSRCJEQUGISTPZ-ZSPCSQLQSA-N
XLogP1.88
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 51.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid?
The IUPAC name of (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid (CID 53477462) is (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid.
What is the SMILES notation for (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid?
The canonical SMILES for (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid is CC(O)[C@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O.
What is the InChIKey of (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid?
The InChIKey is BSRCJEQUGISTPZ-ZSPCSQLQSA-N. The full InChI is InChI=1S/C20H30O6/c1-16(21)19(24)14-8-4-7-12-17(22)10-5-2-3-6-11-18(23)13-9-15-20(25)26/h2-8,10-11,14,16-19,21-24H,9,12-13,15H2,1H3,(H,25,26)/b3-2+,7-4-,10-5+,11-6-,14-8+/t16?,17-,18+,19+/m0/s1.
What are the key properties of (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid?
(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid has a molecular weight of 366.45 g/mol, XLogP of 1.88, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid is sourced from PubChem (CID 53477462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).