(5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one

C24H34O5 — CID 163195044

IUPAC(5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
SMILESC[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)CC=CC=C[C@@H](O)C/C=C/C=CC(=O)O1
InChIInChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5?,14-9?,16-8+,18-12?/t20-,21-,22+,23+/m1/s1
InChIKeyXXDIJWSZFWZBRM-ZQVYZSFYSA-N
MW402.53 g/mol
LogP3.69
Rot. Bonds

About (5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one

(5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one (PubChem CID 163195044) has the molecular formula C24H34O5 and a molecular weight of 402.53 g/mol. Its IUPAC name is (5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one.

Molecular Properties

Compound Name(5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
PubChem CID163195044
Molecular FormulaC24H34O5
Molecular Weight402.53 g/mol
Exact Mass402.24
IUPAC Name(5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
SMILESC[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)CC=CC=C[C@@H](O)C/C=C/C=CC(=O)O1
InChIInChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5?,14-9?,16-8+,18-12?/t20-,21-,22+,23+/m1/s1
InChIKeyXXDIJWSZFWZBRM-ZQVYZSFYSA-N
XLogP3.69
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one with MolForge

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Related Compounds

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Macrolactin F
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Modiolide A
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(4E,6E,8S,9S,10Z,12Z,14E,16R,17S,18S,19E,21E)-8,16-dihydroxy-18-methoxy-6,9,11,13,17,19-hexamethyl-1-oxacyclotetracosa-4,6,10,12,14,19,21-heptaen-2-one
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18,19-epoxy macrolactin A
CID 56649368
Ncgc00385962-01_C16H24O3_
CID 75528938
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(3E,5S,6Z,8S,9Z,14S)-5-hydroxy-8-methoxy-14-methyl-1-oxacyclotetradeca-3,6,9-trien-2-one
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(3Z,5E,8R,10S,11Z,13S,14R,15S,17S,20R,21S,22S)-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8,10,14,20-tetrahydroxy-13,15,17,21-tetramethyl-1-oxacyclodocosa-3,5,11-trien-2-one
CID 44593440

Frequently Asked Questions

What is the IUPAC name of (5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one?
The IUPAC name of (5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one (CID 163195044) is (5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one.
What is the SMILES notation for (5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one?
The canonical SMILES for (5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one is C[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)CC=CC=C[C@@H](O)C/C=C/C=CC(=O)O1.
What is the InChIKey of (5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one?
The InChIKey is XXDIJWSZFWZBRM-ZQVYZSFYSA-N. The full InChI is InChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5?,14-9?,16-8+,18-12?/t20-,21-,22+,23+/m1/s1.
What are the key properties of (5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one?
(5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one has a molecular weight of 402.53 g/mol, XLogP of 3.69, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8S,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one is sourced from PubChem (CID 163195044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).