Name: Name:b-D-Glucopyranoside, 5-bromo-6-chloro-1H-indol-3-yl2-(acetylamino)-2-deoxy-
Brand: Angene
SKU: AG00IA0B
Rating: 90 (10 reviews)

b-D-Glucopyranoside, 5-bromo-6-chloro-1H-indol-3-yl2-(acetylamino)-2-deoxy-

CAS No.:

5609-91-6

Catalog Number:

AG00IA0B

Molecular Formula:

C16H18BrClN2O6

Molecular Weight:

449.6809

Catalog Number:

AG00IA0B

Chemical Name:

b-D-Glucopyranoside, 5-bromo-6-chloro-1H-indol-3-yl2-(acetylamino)-2-deoxy-

CAS Number:

5609-91-6

Molecular Formula:

C16H18BrClN2O6

Molecular Weight:

449.6809

MDL Number:

MFCD00798384

IUPAC Name:

N-[(2S,3R,4R,5S,6R)-2-[(5-bromo-6-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)12(5-21)26-16(13)25-11-4-19-10-3-9(18)8(17)2-7(10)11/h2-4,12-16,19,21,23-24H,5H2,1H3,(H,20,22)/t12-,13-,14-,15-,16-/m1/s1

InChI Key:

GJFJDKFSKAEJGX-OXGONZEZSA-N

SMILES:

OCC1OC(Oc2c[nH]c3c2cc(Br)c(c3)Cl)C(C(C1O)O)NC(=O)C C16H18BrClN2O6

Complexity:

517

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

448.004g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

449.682g/mol

Monoisotopic Mass:

448.004g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

124A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2