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132302-25-1 | β-D-Glucopyranoside, 2-[3,4-bis(acetyloxy)phenyl]ethyl 3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-, 2,6-diacetate 4-[3-[3,4-bis(acetyloxy)phenyl]-2-propenoate], (E)- (9CI)
CAS No: 132302-25-1 Catalog No: AG0010II MDL No:MFCD20260700
Product Description
Catalog Number:
AG0010II
Chemical Name:
β-D-Glucopyranoside, 2-[3,4-bis(acetyloxy)phenyl]ethyl 3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-, 2,6-diacetate 4-[3-[3,4-bis(acetyloxy)phenyl]-2-propenoate], (E)- (9CI)
CAS Number:
132302-25-1
MDL Number:
MFCD20260700
IUPAC Name:
[(2R,3R,4S,5R,6R)-5-acetyloxy-2-(acetyloxymethyl)-6-[2-(3,4-diacetyloxyphenyl)ethoxy]-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
InChI:
InChI=1S/C49H56O26/c1-23(50)62-21-39-42(68-29(7)56)44(69-30(8)57)47(71-32(10)59)49(73-39)75-45-43(74-41(60)16-13-33-11-14-35(64-25(3)52)37(19-33)66-27(5)54)40(22-63-24(2)51)72-48(46(45)70-31(9)58)61-18-17-34-12-15-36(65-26(4)53)38(20-34)67-28(6)55/h11-16,19-20,39-40,42-49H,17-18,21-22H2,1-10H3/b16-13+/t39-,40-,42-,43-,44+,45+,46-,47-,48-,49+/m1/s1
InChI Key:
LDRYJMGKCCNYBN-NBSQHELQSA-N
Properties
Complexity:
2090
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
1
Exact Mass:
1060.306g/mol
Formal Charge:
0
Heavy Atom Count:
75
Hydrogen Bond Acceptor Count:
26
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1060.961g/mol
Monoisotopic Mass:
1060.306g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
326A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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