Home Other Building Blocks D-Raffinoseundecaacetate

D-Raffinoseundecaacetate

CAS No.:
6462-12-0
Catalog Number:
AG00EHKW
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EHKW
Chemical Name:
D-Raffinoseundecaacetate
CAS Number:
6462-12-0
IUPAC Name:
[(2R,3S,4S,5R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
InChI:
InChI=1S/C40H54O27/c1-16(41)52-12-27-30(56-19(4)44)33(59-22(7)47)35(61-24(9)49)38(64-27)54-13-28-31(57-20(5)45)34(60-23(8)48)36(62-25(10)50)39(65-28)67-40(15-55-18(3)43)37(63-26(11)51)32(58-21(6)46)29(66-40)14-53-17(2)42/h27-39H,12-15H2,1-11H3/t27-,28-,29-,30+,31-,32-,33+,34+,35-,36-,37+,38?,39?,40+/m1/s1
InChI Key:
YFYHLVDRBNRNPU-PWIBTGTPSA-N
EC Number:
229-181-6
Properties
Complexity:
1860  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
12  
Defined Bond Stereocenter Count:
0
Exact Mass:
966.285g/mol
Formal Charge:
0
Heavy Atom Count:
67  
Hydrogen Bond Acceptor Count:
27  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
966.845g/mol
Monoisotopic Mass:
966.285g/mol
Rotatable Bond Count:
30  
Topological Polar Surface Area:
335A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Literature
Title Journal
Behavioral genetics and taste. BMC neuroscience 20070101
Inbred mouse strains C57BL/6J and DBA/2J vary in sensitivity to a subset of bitter stimuli. BMC genetics 20050101
Properties