CAS 30754-23-5 - C42H63I7O28 structure

CAS 30754-23-5 - C42H63I7O28

(1S,3S,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33S)-5,10,15,20,25,30,35-heptakis(iodomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

CAS: 30754-23-5
Molecular Formula C42H63I7O28
Molecular Weight 1903.6819 g/mol
LogP -5.1317
Topological Polar Surface Area 412.44 Ų
Hydrogen Bond Donors 14
Hydrogen Bond Acceptors 28
Rotatable Bonds 7
Exact Mass 1903.6819
Monoisotopic Mass 1903.6819
Heavy Atoms 77
Complexity 1492.3556

Chemical Identifiers

CAS Number 30754-23-5
SMILES C(C1[C@@H]2C(C([C@H](O1)O[C@@H]3C(O[C@@H](C(C3O)O)O[C@@H]4C(O[C@@H](C(C4O)O)O[C@@H]5C(O[C@@H](C(C5O)O)O[C@@H]6C(O[C@@H](C(C6O)O)O[C@@H]7C(O[C@@H](C(C7O)O)O[C@@H]8C(O[C@@H](O2)C(C8O)O)CI)CI)CI)CI)CI)CI)O)O)I

Product Overview

CAS 30754-23-5 - C42H63I7O28 (CAS 30754-23-5), with molecular formula C42H63I7O28 and molecular weight 1903.6819 g/mol. IUPAC: (1S,3S,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33S)-5,10,15,20,25,30,35-heptakis(iodomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol.

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