Agn-PC-0loy9W structure

Agn-PC-0loy9W

N-(1,3-benzodioxol-5-ylmethyl)-N-[4-(3-formyl-4-methoxyphenoxy)-15,16-bis(4-hydroxybutyl)-12-(oxan-2-yloxyimino)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]dodecanamide

Also Known As: AGN-PC-0LOY9W|CLL1_008758|N-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-{10-(3-formyl-4-methoxyphenoxy)-1,2-bis(4-hydroxybutyl)-4-{[(oxan-2-yl)oxy]imino}-6a-[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}dodecanamide

CAS: 5213-89-8
Molecular Formula C60H80N2O12
Molecular Weight 1020.5711 g/mol
LogP 12.1386
Topological Polar Surface Area 164.04 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 13
Rotatable Bonds 30
Exact Mass 1020.5711
Monoisotopic Mass 1020.5711
Heavy Atoms 74
Complexity 2380.5237

Chemical Identifiers

CAS Number 5213-89-8
SMILES CCCCCCCCCCCC(=O)N(CC1=CC2=C(C=C1)OCO2)C3CC(=NOC4CCCCO4)C5=CC(C(C6C5C3(OC7=C6C=C(C=C7)OC8=CC(=C(C=C8)OC)C=O)OCC=C)CCCCO)CCCCO

Product Overview

Agn-PC-0loy9W (CAS 5213-89-8), with molecular formula C60H80N2O12 and molecular weight 1020.5711 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-N-[4-(3-formyl-4-methoxyphenoxy)-15,16-bis(4-hydroxybutyl)-12-(oxan-2-yloxyimino)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]dodecanamide.

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