[2-[2-[2,4-Bis(Diaminomethylideneamino)-3,5,6-Trihydroxycyclohexyl]Oxy-4-Hydroxy-4-(Hydroxymethyl)-5-Methyloxolan-3-Yl]Oxy-5-Hydroxy-6-(Hydroxymethyl)-3-Methylaminooxan-4-Yl] Dihydrogen Phosphate
[CAS# 33419-36-2]

Identification

• Name: [2-[2-[2,4-Bis(Diaminomethylideneamino)-3,5,6-Trihydroxycyclohexyl]Oxy-4-Hydroxy-4-(Hydroxymethyl)-5-Methyloxolan-3-Yl]Oxy-5-Hydroxy-6-(Hydroxymethyl)-3-Methylaminooxan-4-Yl] Dihydrogen Phosphate
• Synonyms: [2-[2-(2,4-Diguanidino-3,5,6-Trihydroxy-Cyclohexoxy)-4-Hydroxy-4-(Hydroxymethyl)-5-Methyl-Tetrahydrofuran-3-Yl]Oxy-5-Hydroxy-6-(Hydroxymethyl)-3-Methylamino-Tetrahydropyran-4-Yl] Dihydrogen Phosphate; [2-[[2-(2,4-Diguanidino-3,5,6-Trihydroxycyclohexoxy)-4-Hydroxy-4-(Hydroxymethyl)-5-Methyl-3-Tetrahydrofuranyl]Oxy]-5-Hydroxy-6-(Hydroxymethyl)-3-Methylamino-4-Tetrahydropyranyl] Dihydrogen Phosphate; [2-[2-(2,4-Diguanidino-3,5,6-Trihydroxy-Cyclohexoxy)-4-Hydroxy-5-Methyl-4-Methylol-Tetrahydrofuran-3-Yl]Oxy-5-Hydroxy-3-Methylamino-6-Methylol-Tetrahydropyran-4-Yl] Dihydrogen Phosphate
• Molecular Formula: C₂₁H₄₂N₇O₁₅P
• Molecular Weight: 663.57
• CAS Registry Number: 33419-36-2
• SMILES: C(O)C3(O)C(OC1OC(C(O)C(O[P](O)(O)=O)C1NC)CO)C(OC2C(N=C(N)N)C(O)C(N=C(N)N)C(O)C2O)OC3C
• InChI: 1S/C21H42N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)15(43-44(36,37)38)10(31)6(3-29)40-17)18(39-5)41-14-8(28-20(24)25)11(32)7(27-19(22)23)12(33)13(14)34/h5-18,26,29-35H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)
• InChIKey: ISHZQVDNXXXTHD-UHFFFAOYSA-N

Properties

• Density: 2.108g/cm³ (Cal.)
• Boiling point: 1049.236°C at 760 mmHg (Cal.)
• Flash point: 588.357°C (Cal.)