N-Benzyladriamycin-14-Valerate
[CAS# 98983-21-2]

Identification

• Name: N-Benzyladriamycin-14-Valerate
• Synonyms: [2-Oxo-2-[(2S,4S)-2,5,12-Trihydroxy-4-[(2R,4S,5S,6S)-5-Hydroxy-6-Methyl-4-(Phenylmethylamino)Tetrahydropyran-2-Yl]Oxy-7-Methoxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracen-2-Yl]Ethyl] Pentanoate; Pentanoic Acid [2-Oxo-2-[(2S,4S)-2,5,12-Trihydroxy-4-[[(2R,4S,5S,6S)-
• Molecular Formula: C₃₉H₄₃NO₁₂
• Molecular Weight: 717.77
• CAS Registry Number: 98983-21-2
• SMILES: [C@@H]4(O[C@@H]2O[C@H]([C@@H](O)[C@@H](NCC1=CC=CC=C1)C2)C)C3=C(O)C5=C(C(=C3C[C@](O)(C4)C(=O)COC(=O)CCCC)O)C(=O)C6=C(C5=O)C(=CC=C6)OC
• InChI: 1S/C39H43NO12/c1-4-5-14-28(42)50-19-27(41)39(48)16-23-31(38(47)33-32(36(23)45)35(44)22-12-9-13-25(49-3)30(22)37(33)46)26(17-39)52-29-15-24(34(43)20(2)51-29)40-18-21-10-7-6-8-11-21/h6-13,20,24,26,29,34,40,43,45,47-48H,4-5,14-19H2,1-3H3/t20-,24-,26-,29-,34+
• InChIKey: IUKSGXMOHXEUJY-YWVRLZQXSA-N

Properties

• Density: 1.435g/cm³ (Cal.)
• Boiling point: 882.387°C at 760 mmHg (Cal.)
• Flash point: 487.45°C (Cal.)