[(1S,2R,3S,4S,5R,6S)-2,4-Bis(Diaminomethylideneamino)-5-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylaminooxan-2-Yl]Oxy-4-Hydroxy-4-(Hydroxymethyl)-5-Methyloxolan-2-Yl]Oxy-3,6-Dihydroxycyclohexyl] Dihydrogen Phosphate
[CAS# 33014-54-9]

Identification

• Name: [(1S,2R,3S,4S,5R,6S)-2,4-Bis(Diaminomethylideneamino)-5-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylaminooxan-2-Yl]Oxy-4-Hydroxy-4-(Hydroxymethyl)-5-Methyloxolan-2-Yl]Oxy-3,6-Dihydroxycyclohexyl] Dihydrogen Phosphate
• Synonyms: [(1S,2R,3S,4S,5R,6S)-5-[(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-2,4-Diguanidino-3,6-Dihydroxy-Cyclohexyl] Dihydrogen Phosphate; [(1S,2R,3S,4S,5R,6S)-5-[[(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]-2,4-Diguanidino-3,6-Dihydroxycyclohexyl] Dihydrogen Phosphate; [(1S,2R,3S,4S,5R,6S)-5-[(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-2,4-Diguanidino-3,6-Dihydroxy-Cyclohexyl] Dihydrogen Phosphate
• Molecular Formula: C₂₁H₄₂N₇O₁₅P
• Molecular Weight: 663.57
• CAS Registry Number: 33014-54-9
• 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[P](O)(O)=O)[C@H]3O)C)CO
• InChI: 1S/C21H42N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)12(33)10(31)6(3-29)40-17)18(39-5)41-14-7(27-19(22)23)11(32)8(28-20(24)25)15(13(14)34)43-44(36,37)38/h5-18,26,29-35H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/t5-,6-,7-,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,21+/m0/s1
• InChIKey: DCRWHJGCOKPJBN-TWBNDLJKSA-N

Properties

• Density: 2.108g/cm³ (Cal.)
• Boiling point: 1061.613°C at 760 mmHg (Cal.)
• Flash point: 595.842°C (Cal.)