etoposide

(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

CAS: 33419-42-0

Molecular Formula	`C29H32O13`
Molecular Weight	588.6 g/mol
LogP	0.6
Topological Polar Surface Area	161.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	13
Rotatable Bonds	5
Exact Mass	588.18427
Heavy Atoms	42
Complexity	969.0

Chemical Identifiers

CAS Number	33419-42-0
SMILES	`CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O`
InChIKey	`VJJPUSNTGOMMGY-MRVIYFEKSA-N`

📖 Product Overview

etoposide (CAS: 33419-42-0) is a chemical compound with molecular formula C29H32O13 and molecular weight 588.6 g/mol. Its IUPAC systematic name is (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one. LogP 0.6 Topological Polar Surface Area 161.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 13 Rotatable Bonds 5 Exact Mass 588.18427 Heavy Atoms 42 Complexity 969.0 InChI Key: VJJPUSNTGOMMGY-MRVIYFEKSA-N. SMILES: CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O.

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