5-Bromo-4-chloro-3-indoxyl-alpha-L-arabinofuranoside - CAS 885126-47-6

Catalog:	BB073826
Product Name:	5-Bromo-4-chloro-3-indoxyl-alpha-L-arabinofuranoside
CAS:	885126-47-6
Synonyms:	5-Bromo-4-chloro-3-indoxyl-alpha-L-arabinofuranoside

Technical Data

IUPAC Name:	(2S,3R,4R,5S)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
Description:	5-Bromo-4-chloro-3-indoxyl-alpha-L-arabinofuranoside is used in method for preparing same and method for detecting micro-organism.
Molecular Weight:	378.61
Molecular Formula:	C13H13BrClNO5
Canonical SMILES:	C1=CC(=C(C2=C1NC=C2OC3C(C(C(O3)CO)O)O)Cl)Br
InChI:	InChI=1S/C13H13BrClNO5/c14-5-1-2-6-9(10(5)15)7(3-16-6)20-13-12(19)11(18)8(4-17)21-13/h1-3,8,11-13,16-19H,4H2/t8-,11-,12+,13+/m0/s1
InChI Key:	RYLVNYDICPAOQR-HWNAMQAFSA-N
References:	Kim, Jae Hoon, PCT Int. Appl., (2019).

Complexity:	379
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	4
Defined Bond Stereocenter Count:	0
Exact Mass:	376.96656
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	376.96656
Rotatable Bond Count:	3
Topological Polar Surface Area:	94.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8