(1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene

C24H24O6 — CID 10884056

IUPAC(1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene
SMILESC1O[C@@H]2[C@H](O1)[C@@H]1C[C@H]2c2c1c1c(c3c2[C@H]2C[C@@H]3[C@@H]3OCO[C@@H]32)[C@@H]2C[C@H]1[C@H]1OCO[C@H]12
InChIInChI=1S/C24H24O6/c1-7-13-14(8(1)20-19(7)25-4-26-20)16-10-3-12(24-22(10)28-6-30-24)18(16)17-11-2-9(15(13)17)21-23(11)29-5-27-21/h7-12,19-24H,1-6H2/t7-,8+,9-,10-,11+,12+,19-,20+,21-,22-,23+,24+
InChIKeyAJEMLTMJPBCAMT-SKYAVDCRSA-N
MW408.45 g/mol
LogP2.66
Rot. Bonds

About (1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene

(1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene (PubChem CID 10884056) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is (1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene.

Molecular Properties

Compound Name(1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene
PubChem CID10884056
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name(1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene
SMILESC1O[C@@H]2[C@H](O1)[C@@H]1C[C@H]2c2c1c1c(c3c2[C@H]2C[C@@H]3[C@@H]3OCO[C@@H]32)[C@@H]2C[C@H]1[C@H]1OCO[C@H]12
InChIInChI=1S/C24H24O6/c1-7-13-14(8(1)20-19(7)25-4-26-20)16-10-3-12(24-22(10)28-6-30-24)18(16)17-11-2-9(15(13)17)21-23(11)29-5-27-21/h7-12,19-24H,1-6H2/t7-,8+,9-,10-,11+,12+,19-,20+,21-,22-,23+,24+
InChIKeyAJEMLTMJPBCAMT-SKYAVDCRSA-N
XLogP2.66
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene?
The IUPAC name of (1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene (CID 10884056) is (1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene.
What is the SMILES notation for (1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene?
The canonical SMILES for (1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene is C1O[C@@H]2[C@H](O1)[C@@H]1C[C@H]2c2c1c1c(c3c2[C@H]2C[C@@H]3[C@@H]3OCO[C@@H]32)[C@@H]2C[C@H]1[C@H]1OCO[C@H]12.
What is the InChIKey of (1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene?
The InChIKey is AJEMLTMJPBCAMT-SKYAVDCRSA-N. The full InChI is InChI=1S/C24H24O6/c1-7-13-14(8(1)20-19(7)25-4-26-20)16-10-3-12(24-22(10)28-6-30-24)18(16)17-11-2-9(15(13)17)21-23(11)29-5-27-21/h7-12,19-24H,1-6H2/t7-,8+,9-,10-,11+,12+,19-,20+,21-,22-,23+,24+.
What are the key properties of (1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene?
(1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene has a molecular weight of 408.45 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5R,9S,10S,13S,14S,18R,19R,22R,23R,27S)-6,8,15,17,24,26-hexaoxadecacyclo[20.5.1.14,10.113,19.02,21.03,11.05,9.012,20.014,18.023,27]triaconta-2,11,20-triene is sourced from PubChem (CID 10884056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).