Home Other Building Blocks β-D-Glucopyranuronic acid, 1-[(3α,5β,7β)-3,7-dihydroxycholan-24-oate]

β-D-Glucopyranuronic acid, 1-[(3α,5β,7β)-3,7-dihydroxycholan-24-oate]

CAS No.:
208038-28-2
Catalog Number:
AG002JG5
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG002JG5
Chemical Name:
β-D-Glucopyranuronic acid, 1-[(3α,5β,7β)-3,7-dihydroxycholan-24-oate]
CAS Number:
208038-28-2
MDL Number:
MFCD09841405
IUPAC Name:
(2S,3S,4S,5R,6S)-6-[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C30H48O10/c1-14(4-7-21(33)39-28-25(36)23(34)24(35)26(40-28)27(37)38)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(31)12-15(29)13-20(22)32/h14-20,22-26,28,31-32,34-36H,4-13H2,1-3H3,(H,37,38)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1
InChI Key:
ZTJBLIAPAIPNJE-HRDSWUDVSA-N
Properties
Complexity:
959  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
15  
Defined Bond Stereocenter Count:
0
Exact Mass:
568.325g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
568.704g/mol
Monoisotopic Mass:
568.325g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties