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121710-02-9 | β-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-[[3-(4-methoxyphenyl)-1-oxo-2-propenyl]oxy]oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, [1aS-(1aα,1bβ,2β,5aβ,6β,6aα)]- (9CI)
CAS No: 121710-02-9 Catalog No: AG0015N5 MDL No:MFCD20274714
Product Description
Catalog Number:
AG0015N5
Chemical Name:
β-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-[[3-(4-methoxyphenyl)-1-oxo-2-propenyl]oxy]oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, [1aS-(1aα,1bβ,2β,5aβ,6β,6aα)]- (9CI)
CAS Number:
121710-02-9
MDL Number:
MFCD20274714
IUPAC Name:
[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C25H30O12/c1-32-13-5-2-12(3-6-13)4-7-16(28)35-21-14-8-9-33-23(17(14)25(11-27)22(21)37-25)36-24-20(31)19(30)18(29)15(10-26)34-24/h2-9,14-15,17-24,26-27,29-31H,10-11H2,1H3/b7-4+/t14-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1
InChI Key:
SYHPDMZDZYFZLU-WEWXOPRLSA-N
Properties
Complexity:
872
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
11
Defined Bond Stereocenter Count:
1
Exact Mass:
522.174g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
522.503g/mol
Monoisotopic Mass:
522.174g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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