5-BROMO-4-CHLORO-3-INDOLYL N-ACETYL-ALPHA-D-NEURAMINIC ACID

CAS No.
265979-52-0 ;153248-52-3
CCD No.
CCD00230889
Formula
C19 H22 Br Cl N2 O9
MolWeight
537.745

Basic Information

Product Name: 5-BROMO-4-CHLORO-3-INDOLYL N-ACETYL-ALPHA-D-NEURAMINIC ACID
CAS: 265979-52-0 ;153248-52-3
English Synonyms: X-NANA ; 5-BROMO-4-CHLORO-3-INDOLYL-A-D-N-ACETYLNEURAMINIC ACID ; 5-BROMO-4-CHLOROINDOL-3-YL 5-ACETAMIDO-3,5-DIDEOXY-A-D-GLYCERO-D-GALACTO-2-NONULOPYRANOSIDONIC ACID ; X-NEU5AC ; X-SIALIC ACID ; 5-BROMO-4-CHLORO-3-INDOLYL N-ACETYL-ALPHA-D-NEURAMINIC ACID ; ALPHA-NEURAMINIC ACID, N-ACETYL-2-O-(5-BROMO-4-CHLORO-1H-INDOL-3-YL)-
MDL Number.: MFCD01630886
H bond acceptor: 11
H bond donor: 7
Smile: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)Oc2c[nH]c3c2c(c(cc3)Br)Cl)O
InChi: InChI=1S/C19H22BrClN2O9/c1-7(25)23-15-10(26)4-19(18(29)30,32-17(15)16(28)11(27)6-24)31-12-5-22-9-3-2-8(20)14(21)13(9)12/h2-3,5,10-11,15-17,22,24,26-28H,4,6H2,1H3,(H,23,25)(H,29,30)/t10-,11+,15+,16+,17+,19+/m0/s1
InChiKey: InChIKey=YYWCAOZKVRMNIQ-QZUCQFSHSA-N

Property

Safety information

hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26,36
WGK Germany: 1

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