Home Other Building Blocks etoposide glucuronide

etoposide glucuronide

CAS No.:
100007-55-4
Catalog Number:
AG008YM5
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG008YM5
Chemical Name:
etoposide glucuronide
CAS Number:
100007-55-4
MDL Number:
MFCD15144997
IUPAC Name:
(2S,3S,4S,5R,6S)-6-[4-[(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]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C35H40O19/c1-11-46-9-20-30(50-11)25(38)27(40)34(51-20)52-28-14-7-17-16(48-10-49-17)6-13(14)21(22-15(28)8-47-33(22)43)12-4-18(44-2)29(19(5-12)45-3)53-35-26(39)23(36)24(37)31(54-35)32(41)42/h4-7,11,15,20-28,30-31,34-40H,8-10H2,1-3H3,(H,41,42)/t11-,15+,20-,21-,22+,23+,24+,25-,26-,27-,28-,30-,31+,34+,35-/m1/s1
InChI Key:
URCVASXWNJQAEH-HDWVWLDDSA-N
UNII:
F65IJO84A1
Properties
Complexity:
1340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
15  
Defined Bond Stereocenter Count:
0
Exact Mass:
764.216g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
19  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
764.686g/mol
Monoisotopic Mass:
764.216g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
257A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
Prodrug Mono Therapy: synthesis and biological evaluation of an etoposide glucuronide-prodrug. Bioorganic & medicinal chemistry 20030515
Characterization of drug transport by the human multidrug resistance protein 3 (ABCC3). The Journal of biological chemistry 20011207
Properties