Bluensomycin
[CAS# 11011-72-6]

Identification

• Name: Bluensomycin
• Synonyms: [(1S,2S,3S,4S,5R,6R)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylamino-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-4-(Hydroxymethyl)-5-Methyl-Tetrahydrofuran-2-Yl]Oxy-3-Guanidino-2,5,6-Trihydroxy-Cyclohexyl] Carbamate; Carbamic Acid [(1S,2S,3S,4S,5R,6R)-4-[[(2R,3R,4R,5S)-3-[[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylamino-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-4-(Hydroxymethyl)-5-Methyl-2-Tetrahydrofuranyl]Oxy]-3-Guanidino-2,5,6-Trihydroxycyclohexyl] Ester; Carbamic Acid [(1S,2S,3S,4S,5R,6R)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-3-Methylamino-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-5-Methyl-4-Methylol-Tetrahydrofuran-2-Yl]Oxy-3-Guanidino-2,5,6-Trihydroxy-Cyclohexyl] Ester
• Molecular Formula: C₂₁H₃₉N₅O₁₄
• Molecular Weight: 585.56
• CAS Registry Number: 11011-72-6
• 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](OC(=O)N)[C@H](O)[C@H]3O)C)CO
• InChI: 1S/C21H39N5O14/c1-5-21(35,4-28)16(40-17-8(25-2)10(30)9(29)6(3-27)37-17)18(36-5)38-14-7(26-19(22)23)11(31)15(39-20(24)34)13(33)12(14)32/h5-18,25,27-33,35H,3-4H2,1-2H3,(H2,24,34)(H4,22,23,26)/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14-,15-,16-,17-,18-,21+/m0/s1
• InChIKey: RQLDKUSQKQMFCN-DOOXDOMHSA-N

Properties

• Density: 1.98g/cm³ (Cal.)
• Boiling point: 952.982°C at 760 mmHg (Cal.)
• Flash point: 530.144°C (Cal.)