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Home Halogens Acetobromo-alpha-D-glucuronic acid methyl ester

Acetobromo-alpha-D-glucuronic acid methyl ester

CAS No.:
21085-72-3
Catalog Number:
AG00385Z
Molecular Formula:
C13H17BrO9
Molecular Weight:
397.1727
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$57
- +
5g
98%
In Stock USA
United States
$207
- +
10g
98%
In Stock USA
United States
$319
- +
25g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00385Z
Chemical Name:
Acetobromo-alpha-D-glucuronic acid methyl ester
CAS Number:
21085-72-3
Molecular Formula:
C13H17BrO9
Molecular Weight:
397.1727
MDL Number:
MFCD00061613
IUPAC Name:
methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxane-2-carboxylate
InChI:
InChI=1S/C13H17BrO9/c1-5(15)20-8-9(21-6(2)16)11(13(18)19-4)23-12(14)10(8)22-7(3)17/h8-12H,1-4H3/t8-,9-,10+,11-,12-/m0/s1
InChI Key:
GWTNLHGTLIBHHZ-SVNGYHJRSA-N
SMILES:
COC(=O)[C@H]1O[C@H](Br)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
EC Number:
244-203-4
Properties
Complexity:
492  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
396.006g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.174g/mol
Monoisotopic Mass:
396.006g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
An improved chemo-enzymatic synthesis of 1-beta-O-acyl glucuronides: highly chemoselective enzymatic removal of protecting groups from corresponding methyl acetyl derivatives. The Journal of organic chemistry 20071207
Synthesis of 1-beta-O-acyl glucuronides of diclofenac, mefenamic acid and (S)-naproxen by the chemo-selective enzymatic removal of protecting groups from the corresponding methyl acetyl derivatives. Organic & biomolecular chemistry 20060907
Preparation of pyridine-N-glucuronides of tobacco-specific nitrosamines. Chemical research in toxicology 20010501
Properties