BB-K31 Hydrochloride (Technical Grade)

Analyte Name

(2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide chlorane

CAS Number

373598-29-9

Molecular Formula

C22H43N5O13.x(HCl)

Molecular Weight

590.611

Accurate Mass

590.294

SMILES

NCC[C@H](C(N[C@@H]([C@@H]1O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]1O)=O)O.Cl

InChI

InChI=1S/C22H43N5O13.ClH/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21;/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36);1H/t6-,7+,8+,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+;/m0./s1

IUPAC

D-Streptamine, O-3-amino-3-deoxy-a-D-glucopyranosyl-(1?6)-O-[6-amino-6-deoxy-a-D-glucopyranosyl-(1?4)]-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (R)-, hydrochloride; O-3-Amino-3-deoxy-a-D-glucopyranosyl-(1?6)-O-[6-amino-6-deoxy-a-D-glucopyranosyl-(1?4)]-N1-[(2R)-4-amino-2-hydroxy-1-oxobutyl]-2-deoxy-D-streptamine hydrochloride; Antibiotic BB-K 31 hydrochloride; BB-K31 hydrochloride; (R)-4-amino-N-((1R,2S,3S,4R,5S)-5-amino-2-(((2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-hydroxycyclohexyl)-2-hydroxybutanamide hydrochloride

Alternate CAS Number

50896-99-6 (free amine); 2650526-24-0; 2437247-39-5

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat