(4''R)-22-O-(3-Amino-3-C-Methyl-2,3,6-Trideoxy-alpha-L-Arabino-Hexopyranosyl)-10-Dechloro-56-Methylvancomycin
[CAS# 112848-46-1]

Identification

• Name: (4''R)-22-O-(3-Amino-3-C-Methyl-2,3,6-Trideoxy-alpha-L-Arabino-Hexopyranosyl)-10-Dechloro-56-Methylvancomycin
• Molecular Formula: C₇₄H₉₁ClN₁₀O₂₆
• Molecular Weight: 1572.02
• CAS Registry Number: 112848-46-1
• SMILES: O[C@@H]2[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@](C)(N)C1)[C@@H](O[C@H](CO)[C@H]2O)Oc%11c9cc4cc%11Oc3ccc(cc3)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]4C(=O)N[C@@H]7c5ccc(O)c(c5)c6c(O)cc(O)cc6[C@H](NC(=O)[C@@H](NC7=O)[C@H](O[C@H]8C[C@](C)(N)[C@@H](O)[C@H](C)O8)c%10ccc(O9)c(Cl)c%10)C(=O)O
• InChI: 1S/C74H91ClN10O26/c1-28(2)17-41(85(7)8)66(97)83-55-57(91)31-9-13-36(14-10-31)106-45-20-34-21-46(61(45)111-72-62(59(93)58(92)47(27-86)108-72)110-50-26-74(6,78)64(95)30(4)105-50)107-44-16-12-33(19-39(44)75)60(109-49-25-73(5,77)63(94)29(3)104-49)56-70(101)82-54(71(102)103)38-22-35(87)23-43(89)51(38)37-18-32(11-15-42(37)88)52(67(98)84-56)81-68(99)53(34)80-65(96)40(24-48(76)90)79-69(55)100/h9-16,18-23,28-30,40-41,47,49-50,52-60,62-64,72,86-89,91-95H,17,24-27,77-78H2,1-8H3,(H2,76,90)(H,79,100)(H,80,96)(H,81,99)(H,82,101)(H,83,97)(H,84,98)(H,102,103)/t29-,30-,40-,41+,47+,49-,50-,52+,53+,54-,55+,56-,57+,58+,59-,60+,62+,63-,64-,72-,73-,74-/m0/s1
• InChIKey: BTCGMSGGRYTEHK-QKUOSJMUSA-N

Properties

• Density: 1.591g/cm³ (Cal.)
• Refractive index: 1.715 (Cal.)