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878495-64-8 | Magenta-alpha-glucoside
CAS No: 878495-64-8 Catalog No: AG004GYT MDL No:MFCD06796940
Product Description
Catalog Number:
AG004GYT
Chemical Name:
Magenta-alpha-glucoside
CAS Number:
878495-64-8
Molecular Formula:
C14H15BrClNO6
Molecular Weight:
408.6290
MDL Number:
MFCD06796940
IUPAC Name:
(2R,3R,4S,5S,6R)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C14H15BrClNO6/c15-6-1-5-8(2-7(6)16)17-3-9(5)22-14-13(21)12(20)11(19)10(4-18)23-14/h1-3,10-14,17-21H,4H2/t10-,11-,12+,13-,14+/m1/s1
InChI Key:
CHRVKCMQIZYLNM-RGDJUOJXSA-N
SMILES:
OC[C@H]1O[C@H](Oc2c[nH]c3c2cc(Br)c(c3)Cl)[C@H]([C@H]([C@H]1O)O)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
406.977g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
408.629g/mol
Monoisotopic Mass:
406.977g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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