N,N-Dimethylpradimicin C
[CAS# 127985-24-4]

Identification

• Name: N,N-Dimethylpradimicin C
• Synonyms: N,N-Dimethylpradimicin C; D-Alanine, N-((5-((4,6-Dideoxy-4-(Dimethylamino)-3-O-Beta-D-Xylopyranosyl-Beta-D-Galactopyranosyl)Oxy)-5,6,8,13-Tetrahydro-1,6,9,14-Tetrahydroxy-11-Methoxy-3-Methyl-8,13-Dioxobenzo(A)Naphthacen-2-Yl)Carbonyl)-, (5S-Trans)-; Aids-008516
• Molecular Formula: C₄₁H₄₆N₂O₁₈
• Molecular Weight: 854.82
• CAS Registry Number: 127985-24-4
• SMILES: [C@H]4(OC2OC(C(N(C)C)C(OC1OCC(O)C(O)C1O)C2O)C)C7=C(C3=C(O)C5=C(C=C3[C@@H]4O)C(=O)C6=C(C5=O)C=C(OC)C=C6O)C(=C(C(=C7)C)C(=O)NC(C(=O)O)C)O
• InChI: 1S/C41H46N2O18/c1-12-7-19-25(32(50)22(12)38(54)42-13(2)39(55)56)24-17(10-18-26(33(24)51)29(47)16-8-15(57-6)9-20(44)23(16)28(18)46)30(48)36(19)60-41-35(53)37(27(43(4)5)14(3)59-41)61-40-34(52)31(49)21(45)11-58-40/h7-10,13-14,21,27,30-31,34-37,40-41,44-45,48-53H,11H2,1-6H3,(H,42,54)(H,55,56)/t13?,14?,21?,27?,30-,31?,34?,35?,36-,37?,40?,41?/m0/s1
• InChIKey: VMZLKUVXZLGMLL-IIOFOUJLSA-N

Properties

• Density: 1.666g/cm³ (Cal.)
• Boiling point: 1111.379°C at 760 mmHg (Cal.)
• Flash point: 625.94°C (Cal.)