Name: Name:β-D-Glucopyranuronic acid, 1-[4'-[(1,4'-dimethyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl][1,1'-biphenyl]-2-carboxylate]
Brand: Angene
SKU: AG002QEM
Rating: 90 (10 reviews)

β-D-Glucopyranuronic acid, 1-[4'-[(1,4'-dimethyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl][1,1'-biphenyl]-2-carboxylate]

CAS No.:

250780-40-6

Catalog Number:

AG002QEM

Molecular Formula:

Molecular Weight:

Catalog Number:

AG002QEM

Chemical Name:

β-D-Glucopyranuronic acid, 1-[4'-[(1,4'-dimethyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl][1,1'-biphenyl]-2-carboxylate]

CAS Number:

250780-40-6

IUPAC Name:

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoyl]oxyoxane-2-carboxylic acid

InChI:

InChI=1S/C39H38N4O8/c1-4-9-30-41-31-21(2)18-24(36-40-27-12-7-8-13-28(27)42(36)3)19-29(31)43(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)38(49)51-39-34(46)32(44)33(45)35(50-39)37(47)48/h5-8,10-19,32-35,39,44-46H,4,9,20H2,1-3H3,(H,47,48)/t32-,33-,34+,35-,39-/m0/s1

InChI Key:

RCOBUBSULFIXAR-QQPFWGBFSA-N

UNII:

103F5D8G3S

Complexity:

1200

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

690.269g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

690.753g/mol

Monoisotopic Mass:

690.269g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

169A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4