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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12BrN5O4
Molecular Weight 346.137
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-BROMO-9-.BETA.-D-XYLOFURANOSYLADENINE

SMILES

NC1=NC=NC2=C1N=C(Br)N2[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O

InChI

InChIKey=VJUPMOPLUQHMLE-FTWQFJAYSA-N
InChI=1S/C10H12BrN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5+,6-,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H12BrN5O4
Molecular Weight 346.137
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
32SY6L5LHT
Record Status Validated (UNII)
Record Version