(5S-trans)-N-[[5-[(6-Deoxy-3-O-b-D-xylopyranosyl-b-D-galactopyranosyl)oxy]-5,6,8,13-tetrahydro-1,6,9,11,14-pentahydroxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-Glycine
[CAS# 150693-43-9]

Identification

• Name: (5S-trans)-N-[[5-[(6-Deoxy-3-O-b-D-xylopyranosyl-b-D-galactopyranosyl)oxy]-5,6,8,13-tetrahydro-1,6,9,11,14-pentahydroxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-Glycine
• Synonyms: Aids029930; Glycine, N-[[5-[(6-Deoxy-3-O-.Beta.-D-Xylopyranosyl-.Beta.-D-Galactopyranosyl)Oxy]-5,6,8,13-Tetrahydro-1,6,9,11,14-Pentahydroxy-3-Methyl-8,13-Dioxobenzo[A]Naphthacen-2-Yl]Carbonyl]-, (5S-Trans)-; Glycine, N-((5-((6-Deoxy-3-O-Beta-D-Xylopyranosyl-Beta-D-Galactopyranosyl)Oxy)-5,6,8,13-Tetrahydro-1,6,9,11,14-Pentahydroxy-3-Methyl-8,13-Dioxobenzo(A)Naphthacen-2-Yl)Carbonyl)-, (5S-Trans)-
• Molecular Formula: C₃₇H₃₇NO₁₉
• Molecular Weight: 799.69
• CAS Registry Number: 150693-43-9
• SMILES: [C@H]4(O[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O)C)C7=C(C3=C(O)C5=C(C=C3[C@@H]4O)C(=O)C6=C(C5=O)C=C(O)C=C6O)C(=C(C(=C7)C)C(=O)NCC(=O)O)O
• InChI: 1S/C37H37NO19/c1-9-3-15-22(29(49)19(9)35(53)38-7-18(42)43)21-13(6-14-23(30(21)50)26(46)12-4-11(39)5-16(40)20(12)25(14)45)27(47)33(15)56-37-32(52)34(24(44)10(2)55-37)57-36-31(51)28(48)17(41)8-54-36/h3-6,10,17,24,27-28,31-34,36-37,39-41,44,47-52H,7-8H2,1-2H3,(H,38,53)(H,42,43)/t10-,17-,24+,27+,28+,31-,32-,33+,34+,36+,37+/m1/s1
• InChIKey: BFYQOBJTZWZTHU-YJZWZTCPSA-N

Properties

• Density: 1.856g/cm³ (Cal.)
• Boiling point: 1170.839°C at 760 mmHg (Cal.)
• Flash point: 661.899°C (Cal.)