Home Halogens 5-Bromo-6-chloro-3-indolyl-d-glucuronide cyclohexylammonium salt

5-Bromo-6-chloro-3-indolyl-d-glucuronide cyclohexylammonium salt

CAS No.:
144110-43-0
Catalog Number:
AG001IYF
Molecular Formula:
C20H26BrClN2O7
Molecular Weight:
521.7866
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 98% (TLC)
1 week
United States
$104
- +
250mg
≥ 98% (TLC)
1 week
United States
$170
- +
1g
≥ 98% (TLC)
1 week
United States
$462
- +
Product Description
Catalog Number:
AG001IYF
Chemical Name:
5-Bromo-6-chloro-3-indolyl-d-glucuronide cyclohexylammonium salt
CAS Number:
144110-43-0
Molecular Formula:
C20H26BrClN2O7
Molecular Weight:
521.7866
MDL Number:
MFCD00153929
IUPAC Name:
(2S,3S,4S,5R,6S)-6-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine
InChI:
InChI=1S/C14H13BrClNO7.C6H13N/c15-5-1-4-7(2-6(5)16)17-3-8(4)23-14-11(20)9(18)10(19)12(24-14)13(21)22;7-6-4-2-1-3-5-6/h1-3,9-12,14,17-20H,(H,21,22);6H,1-5,7H2/t9-,10-,11+,12-,14+;/m0./s1
InChI Key:
HGZDFBMYVMPFHR-CYRSAHDMSA-N
SMILES:
OC(=O)[C@H]1O[C@@H](Oc2c[nH]c3c2cc(Br)c(c3)Cl)[C@@H]([C@H]([C@@H]1O)O)O.NC1CCCCC1
Properties
Complexity:
532  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
520.061g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
521.789g/mol
Monoisotopic Mass:
520.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties