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CHITOHEPTAOSE HEPTAHYDROCHLORIDE

CAS No.:
68232-35-9
Catalog Number:
AG00FBGG
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00FBGG
Chemical Name:
CHITOHEPTAOSE HEPTAHYDROCHLORIDE
CAS Number:
68232-35-9
MDL Number:
MFCD00210264
IUPAC Name:
(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;heptahydrochloride
InChI:
InChI=1S/C42H79N7O29.7ClH/c43-15-24(59)30(9(2-51)66-36(15)65)73-38-17(45)26(61)32(11(4-53)68-38)75-40-19(47)28(63)34(13(6-55)70-40)77-42-21(49)29(64)35(14(7-56)72-42)78-41-20(48)27(62)33(12(5-54)71-41)76-39-18(46)25(60)31(10(3-52)69-39)74-37-16(44)23(58)22(57)8(1-50)67-37;;;;;;;/h8-42,50-65H,1-7,43-49H2;7*1H/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36?,37+,38+,39+,40+,41+,42+;;;;;;;/m1......./s1
InChI Key:
XILROFQEQZNQLF-PHLWITABSA-N
Properties
Complexity:
1840  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
8  
Defined Atom Stereocenter Count:
34  
Defined Bond Stereocenter Count:
0
Exact Mass:
1399.326g/mol
Formal Charge:
0
Heavy Atom Count:
85  
Hydrogen Bond Acceptor Count:
36  
Hydrogen Bond Donor Count:
30  
Isotope Atom Count:
0
Molecular Weight:
1401.32g/mol
Monoisotopic Mass:
1397.329g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
626A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties