Aponatamycin
[CAS# 60395-06-4]

Identification

• Name: Aponatamycin
• Synonyms: Oxacyclohexacosa-3,16,18,21,23-pentaene-13-carboxylic acid,20-(12-((3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy)-15-carboxy-5,14,16,20,22,23-hexahydroxy-2-methyl-18,26-dioxooxacyclohexacosa-6,8,10,24-tetraen-4-yl)-5,6,8,12,14-pentahydroxy-26-methyl-2,10-dioxo-
• Molecular Formula: C₆₀H₈₇NO₂₅
• Molecular Weight: 1222.32
• CAS Registry Number: 60395-06-4
• SMILES: O=C(O)C1C(O)C/C=C\C=C/C(/C=C\C=CCC(OC(=O)\C=C/C(O)C(O)CC(O)CC(=O)CC1O)C)C3C(O)/C=C\C=C\C=C/C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](N)[C@@H]2O)C)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)C(O)/C=C\C(=O)OC(C)C3
• InChI: 1S/C60H87NO25/c1-32-14-8-6-9-15-35(16-10-7-13-19-45(69)53(58(79)80)48(72)29-38(64)25-36(62)27-46(70)43(67)20-22-51(75)83-32)41-24-33(2)84-52(76)23-21-44(68)47(71)28-37(63)26-39(65)30-49(73)54(59(81)82)50(74)31-40(17-11-4-5-12-18-42(41)66)86-60-57(78)55(61)56(77)34(3)85-60/h4-13,15-18,20-23,32-37,40-50,53-57,60,62-63,66-74,77-78H,14,19,24-31,61H2,1-3H3,(H,79,80)(H,81,82)/b5-4?,8-6?,13-7-,15-9-,16-10-,17-11-,18-12-,22-20-,23-21-/t32?,33?,34-,35?,36?,37?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53?,54?,55+,56-,57+,60+/m1/s1
• InChIKey: CPJDGMMIKOGIHH-MHJBSDRBSA-N

Properties

• Density: 1.42g/cm³ (Cal.)
• Boiling point: 1407.269°C at 760 mmHg (Cal.)
• Flash point: 804.887°C (Cal.)