Compound Q&A
What are the physical and chemical properties of (3S,6S,9S,16R,21aS)-16-Allyl-3-[(2S)-2-butanyl]-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone (CAS: 6686-70-0)?
Answer
![(3S,6S,9S,16R,21aS)-16-Allyl-3-[(2S)-2-butanyl]-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone](https://static.chemtradehub.com/structs/668/6686-70-0-bcb5.webp "(3S,6S,9S,16R,21aS)-16-Allyl-3-[(2S)-2-butanyl]-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone")
This compound is a crystalline solid with a molecular weight of approximately 612.85 g/mol. It is slightly soluble in common organic solvents such as ethanol and acetone. The compound displays moderate reactivity, particularly towards nucleophilic substitution and addition reactions. It is stable under normal conditions but requires handling in a fume hood to prevent inhalation or skin contact.
About
CAS No
6686-70-0
English Name
(3S,6S,9S,16R,21aS)-16-Allyl-3-[(2S)-2-butanyl]-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone
Molecular Formula
C29H47N5O7
Molecular Weight
577.72 g/mol
SMILES
CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC=C)C)C)C(C)C)C
InChIKey
XIYSEKITPHTMJT-OCCJOITDSA-N
Last Updated: 2026-03-22 19:38
![(3S,6S,9S,16R,21aS)-16-Allyl-3-[(2S)-2-butanyl]-6-isopropyl-5,8,9-trimethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone — MedChemExpress LLC](https://static.chemtradehub.com/suppliers/67ced0fb2b2de6e8e95a67fd/67ced0fb2b2de6e8e95a67fd-logo.webp){kind=logo}