Home Halogens 5-Bromo-4-chloro-3-indolyl-n-acetyl-beta-d-glucosaminide

5-Bromo-4-chloro-3-indolyl-n-acetyl-beta-d-glucosaminide

CAS No.:
4264-82-8
Catalog Number:
AG00I88O
Molecular Formula:
C16H18BrClN2O6
Molecular Weight:
449.6809
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 99% (HPLC)
1 week
United States
$177
- +
5g
≥ 99% (HPLC)
1 week
United States
$542
- +
Product Description
Catalog Number:
AG00I88O
Chemical Name:
5-Bromo-4-chloro-3-indolyl-n-acetyl-beta-d-glucosaminide
CAS Number:
4264-82-8
Molecular Formula:
C16H18BrClN2O6
Molecular Weight:
449.6809
MDL Number:
MFCD00040631
IUPAC Name:
N-[(2S,3R,4R,5S,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChI:
InChI=1S/C16H18BrClN2O6/c1-6(22)20-13-15(24)14(23)10(5-21)26-16(13)25-9-4-19-8-3-2-7(17)12(18)11(8)9/h2-4,10,13-16,19,21,23-24H,5H2,1H3,(H,20,22)/t10-,13-,14-,15-,16-/m1/s1
InChI Key:
SUWPNTKTZYIFQT-XZINFULNSA-N
SMILES:
OCC1OC(Oc2c[nH]c3c2c(Cl)c(cc3)Br)C(C(C1O)O)NC(=O)C C16H18BrClN2O6
Properties
Complexity:
517  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
448.004g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
449.682g/mol
Monoisotopic Mass:
448.004g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties