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303127-81-3

303127-81-3 | β-D-Glucopyranoside, 4-methoxyphenyl 3-O-(phenylmethyl)-4,6-O-[(R)-phenylmethylene]-

CAS No: 303127-81-3 Catalog No: AG002ZMN MDL No:

Product Description

Catalog Number:
AG002ZMN
Chemical Name:
β-D-Glucopyranoside, 4-methoxyphenyl 3-O-(phenylmethyl)-4,6-O-[(R)-phenylmethylene]-
CAS Number:
303127-81-3
Molecular Formula:
C27H28O7
Molecular Weight:
464.5070
IUPAC Name:
(2R,4aR,6S,7R,8R,8aR)-6-(4-methoxyphenoxy)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
InChI:
InChI=1S/C27H28O7/c1-29-20-12-14-21(15-13-20)32-27-23(28)25(30-16-18-8-4-2-5-9-18)24-22(33-27)17-31-26(34-24)19-10-6-3-7-11-19/h2-15,22-28H,16-17H2,1H3/t22-,23-,24-,25-,26-,27-/m1/s1
InChI Key:
JQCLKKJUWALUTI-ZRRJEQDASA-N
SMILES:
COc1ccc(cc1)O[C@@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@H]1O)OCc1ccccc1)c1ccccc1

Properties

Complexity:
598  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
464.184g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
464.514g/mol
Monoisotopic Mass:
464.184g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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