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isomaltoheptaose

CAS No.:
6513-12-8
Catalog Number:
AG00EHLP
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EHLP
Chemical Name:
isomaltoheptaose
CAS Number:
6513-12-8
MDL Number:
MFCD13182452
IUPAC Name:
(2R,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4,5,6-tetrakis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexanal
InChI:
InChI=1S/C42H72O36/c43-1-9-17(50)23(56)29(62)37(68-9)67-8-16(75-38-30(63)24(57)18(51)10(2-44)69-38)35(77-40-32(65)26(59)20(53)12(4-46)71-40)34(76-39-31(64)25(58)19(52)11(3-45)70-39)15(7-49)74-42-36(28(61)22(55)14(6-48)73-42)78-41-33(66)27(60)21(54)13(5-47)72-41/h7,9-48,50-66H,1-6,8H2/t9-,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:
YGMBQDCBGPAZNW-YIBJATESSA-N
Properties
Complexity:
1800  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
34  
Defined Bond Stereocenter Count:
0
Exact Mass:
1152.38g/mol
Formal Charge:
0
Heavy Atom Count:
78  
Hydrogen Bond Acceptor Count:
36  
Hydrogen Bond Donor Count:
23  
Isotope Atom Count:
0
Molecular Weight:
1153.002g/mol
Monoisotopic Mass:
1152.38g/mol
Rotatable Bond Count:
23  
Topological Polar Surface Area:
593A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-13  
Properties