Paldimycin
[CAS# 102426-96-0]

Identification

• Name: Paldimycin
• Synonyms: Antibiotic Produced By Streptomyces Organism; Paldimycin; Paldimycin [Usan:Inn]
• Molecular Formula: C₈₇H₁₂₆N₈O₄₆S₆
• Molecular Weight: 2212.34
• CAS Registry Number: 102426-96-0
• SMILES: [C@]3(O)(C2OC(C(OC(=O)C(NC(SC[C@H](NC(=O)C)C(=O)O)=S)C(SC[C@H](NC(=O)C)C(=O)O)C)C(OC1OC(C(O)([C@@H](OC(=O)[C@H](CC)C)C)C(OC)C1)C)C2O)COC(=O)C)C(=O)C(=C(N)C(=O)C3)C(=O)O.[C@]6(O)(C5OC(C(OC(=O)C(NC(SC[C@H](NC(=O)C)C(=O)O)=S)C(SC[C@H](NC(=O)C)C(=O)O)C)C(OC4OC(C(O)([C@@H](OC(=O)C(C)C)C)C(OC)C4)C)C5O)COC(=O)C)C(=O)C(=C(N)C(=O)C6)C(=O)O
• InChI: 1S/C44H64N4O23S3.C43H62N4O23S3/c1-10-16(2)40(61)68-19(5)44(64)18(4)67-28(11-27(44)65-9)70-34-32(53)36(43(63)12-25(52)30(45)29(35(43)54)39(59)60)69-26(13-66-22(8)51)33(34)71-41(62)31(17(3)73-14-23(37(55)56)46-20(6)49)48-42(72)74-15-24(38(57)58)47-21(7)50;1-15(2)39(60)67-18(5)43(63)17(4)66-27(10-26(43)64-9)69-33-31(52)35(42(62)11-24(51)29(44)28(34(42)53)38(58)59)68-25(12-65-21(8)50)32(33)70-40(61)30(16(3)72-13-22(36(54)55)45-19(6)48)47-41(71)73-14-23(37(56)57)46-20(7)49/h16-19,23-24,26-28,31-34,36,53,63-64H,10-15,45H2,1-9H3,(H,46,49)(H,47,50)(H,48,72)(H,55,56)(H,57,58)(H,59,60);15-18,22-23,25-27,30-33,35,52,62-63H,10-14,44H2,1-9H3,(H,45,48)(H,46,49)(H,47,71)(H,54,55)(H,56,57)(H,58,59)/t16-,17?,18?,19-,23-,24-,26?,27?,28?,31?,32?,33?,34?,36?,43+,44?;16?,17?,18-,22-,23-,25?,26?,27?,30?,31?,32?,33?,35?,42+,43?/m00/s1
• InChIKey: TXVSHMIPOFTCFI-ILYCIZJESA-N

Properties

• Boiling point: 1800.7°C at 760 mmHg (Cal.)
• Flash point: 1042.8°C (Cal.)