5-Acetamido-2-{[6-({5-Acetamido-6-[(4-{[3-Acetamido-4-{[4-{[5-Acetamido-2-Carboxy-6-Hydroxy-4-(1,2,3-Trihydroxypropyl)Tetrahydro-2H-Pyran-2-Yl]Oxy}-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2 -Yl]Oxy}-5-Hydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl]Oxy}-3,5-Dihydroxy-6-[(1,2,4,5-Tetrahydroxy-6-Oxo-3-Hexanyl)Oxy]Tetrahydro-2H-Pyran-2-Yl)Methoxy]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydro-2H- Pyran-3-Yl}Oxy)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Yl]Methoxy}-4-Hydroxy-6-(1,2,3-Trihydroxypropyl)Tetrahydro-2H-Pyran-2-Carboxylic Acid
[CAS# 137636-98-7]

Identification

• Name: 5-Acetamido-2-{[6-({5-Acetamido-6-[(4-{[3-Acetamido-4-{[4-{[5-Acetamido-2-Carboxy-6-Hydroxy-4-(1,2,3-Trihydroxypropyl)Tetrahydro-2H-Pyran-2-Yl]Oxy}-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2 -Yl]Oxy}-5-Hydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl]Oxy}-3,5-Dihydroxy-6-[(1,2,4,5-Tetrahydroxy-6-Oxo-3-Hexanyl)Oxy]Tetrahydro-2H-Pyran-2-Yl)Methoxy]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydro-2H- Pyran-3-Yl}Oxy)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Yl]Methoxy}-4-Hydroxy-6-(1,2,3-Trihydroxypropyl)Tetrahydro-2H-Pyran-2-Carboxylic Acid
• Molecular Formula: C₆₂H₁₀₂N₄O₄₇
• Molecular Weight: 1655.47
• CAS Registry Number: 137636-98-7
• SMILES: OC(C1OC(CC(O)C1NC(C)=O)(OCC7OC(OC2C(O)C(NC(C)=O)C(OC2CO)OCC6OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C(OC5OC(CO)C(O)C(OC4OC(CO)C(O)C(OC3(CC(C(O)C(O)CO)C(NC(=O)C)C(O)O3)C(=O)O)C4O)C5NC(C)=O)C6O)C(O)C(O)C7O)C(=O)O)C(O)CO
• InChI: 1S/C62H102N4O47/c1-16(74)63-31-20(35(83)22(79)7-67)5-62(60(98)99,113-53(31)95)112-52-40(88)27(12-72)103-58(46(52)94)109-49-34(66-19(4)77)55(102-26(11-71)39(49)87)110-51-41(89)29(105-57(45(51)93)107-47(25(82)10-70)36(84)23(80)8-68)14-100-54-33(65-18(3)76)42(90)48(28(13-73)104-54)108-56-44(92)43(91)38(86)30(106-56)15-101-61(59(96)97)6-21(78)32(64-17(2)75)50(111-61)37(85)24(81)9-69/h8,20-58,67,69-73,78-95H,5-7,9-15H2,1-4H3,(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,96,97)(H,98,99)
• InChIKey: UUZWLWYXBNTJDG-UHFFFAOYSA-N

Properties

• Density: 1.771g/cm³ (Cal.)
• Boiling point: 1910.53°C at 760 mmHg (Cal.)
• Flash point: 1109.248°C (Cal.)
• Refractive index: 1.681 (Cal.)