N,N'-Bis(Aminoiminomethyl)-4-O-[2-O-(2-Deoxy-2-Methylamino-alpha-L-Glucopyranosyl)-3-C-Formyl-alpha-L-Lyxofuranosyl]-D-Streptamine
[CAS# 6835-00-3]

Identification

• Name: N,N'-Bis(Aminoiminomethyl)-4-O-[2-O-(2-Deoxy-2-Methylamino-alpha-L-Glucopyranosyl)-3-C-Formyl-alpha-L-Lyxofuranosyl]-D-Streptamine
• Synonyms: 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylamino-Tetrahydropyran-2-Yl]Oxy-4-Formyl-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxy-5-Guanidino-3,4,6-Trihydroxy-Cyclohexyl]Guanidine; 2-[(1S,2R,3R,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3-[[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylamino-2-Tetrahydropyranyl]Oxy]-4-Formyl-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxy]-5-Guanidino-3,4,6-Trihydroxycyclohexyl]Guanidine; 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-3-Methylamino-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4-Formyl-4-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Oxy-5-Guanidino-3,4,6-Trihydroxy-Cyclohexyl]Guanidine
• Molecular Formula: C₂₁H₃₉N₇O₁₃
• Molecular Weight: 597.58
• CAS Registry Number: 6835-00-3
• SMILES: [C@@H]2(O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1NC)CO)[C@](O)([C@@H](O[C@H]2O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)CO)C=O
• InChI: 1S/C21H39N7O13/c1-26-9-13(35)10(32)5(2-29)38-17(9)41-16-18(39-6(3-30)21(16,37)4-31)40-15-8(28-20(24)25)11(33)7(27-19(22)23)12(34)14(15)36/h4-18,26,29-30,32-37H,2-3H2,1H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
• InChIKey: OFNXOACBUMGOPC-HZYVHMACSA-N

Properties

• Density: 2.049g/cm³ (Cal.)
• Boiling point: 996.533°C at 760 mmHg (Cal.)
• Flash point: 556.483°C (Cal.)