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Xylohexaose

CAS No.:
49694-21-5
Catalog Number:
AG00DA6M
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DA6M
Chemical Name:
Xylohexaose
CAS Number:
49694-21-5
MDL Number:
MFCD28064299
IUPAC Name:
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
InChI:
InChI=1S/C30H50O25/c31-7-1-46-26(20(39)13(7)32)52-9-3-48-28(22(41)15(9)34)54-11-5-50-30(24(43)17(11)36)55-12-6-49-29(23(42)18(12)37)53-10-4-47-27(21(40)16(10)35)51-8-2-45-25(44)19(38)14(8)33/h7-44H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17+,18+,19-,20-,21-,22-,23-,24-,25?,26+,27+,28+,29+,30+/m1/s1
InChI Key:
FTTUBRHJNAGMKL-HWHAXOAESA-N
Properties
Complexity:
1210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
23  
Defined Bond Stereocenter Count:
0
Exact Mass:
810.264g/mol
Formal Charge:
0
Heavy Atom Count:
55  
Hydrogen Bond Acceptor Count:
25  
Hydrogen Bond Donor Count:
14  
Isotope Atom Count:
0
Molecular Weight:
810.705g/mol
Monoisotopic Mass:
810.264g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
385A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-10.2  
Properties