N-[5(S)-[6-Deoxy-3-O-(beta-D-xylopyranosyl)-beta-D-galactopyranosyloxy]-1,6(S),9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]naphthacen-2-ylcarbonyl]-D-serine
[CAS# 139272-69-8]

Identification

• Name: N-[5(S)-[6-Deoxy-3-O-(beta-D-xylopyranosyl)-beta-D-galactopyranosyloxy]-1,6(S),9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]naphthacen-2-ylcarbonyl]-D-serine
• Synonyms: Aids009328; Bms-181184; N-[5(S)-[6-Deoxy-3-O-(Beta-D-Xylopyranosyl)-Beta-D-Galactopyranosyloxy]-1,6(S),9,14-Tetrahydroxy-11-Methoxy-3-Methyl-8,13-Dioxo-5,6,8,13-Tetrahydrobenzo[A]Naphthacen-2-Ylcarbonyl]-D-Serine
• Molecular Formula: C₃₉H₄₁NO₂₀
• Molecular Weight: 843.75
• CAS Registry Number: 139272-69-8
• SMILES: [C@H]4(OC2OC(C(O)C(OC1OCC(O)C(O)C1O)C2O)C)C7=C(C3=C(O)C5=C(C=C3C4O)C(=O)C6=C(C5=O)C=C(OC)C=C6O)C(=C(C(=C7)C)C(=O)NC(C(=O)O)CO)O
• InChI: 1S/C39H41NO20/c1-10-4-16-23(30(49)20(10)36(53)40-17(8-41)37(54)55)22-14(7-15-24(31(22)50)27(46)13-5-12(56-3)6-18(42)21(13)26(15)45)28(47)34(16)59-39-33(52)35(25(44)11(2)58-39)60-38-32(51)29(48)19(43)9-57-38/h4-7,11,17,19,25,28-29,32-35,38-39,41-44,47-52H,8-9H2,1-3H3,(H,40,53)(H,54,55)/t11?,17?,19?,25?,28?,29?,32?,33?,34-,35?,38?,39?/m0/s1
• InChIKey: AXPBRQZJFXIYTD-PWEAUJHISA-N

Properties

• Density: 1.798g/cm³ (Cal.)
• Boiling point: 1185.139°C at 760 mmHg (Cal.)
• Flash point: 670.548°C (Cal.)