7,12-Dimethylbenz[a]Anthracene-Deoxyadenosine Adduct
[CAS# 99745-70-7]

Identification

• Name: 7,12-Dimethylbenz[a]Anthracene-Deoxyadenosine Adduct
• Synonyms: 1-[[9-[(4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]-7,12-Dimethyl-1,2,3,4-Tetrahydrobenzo[A]Anthracene-2,3,4-Triol; 1-[[9-[(4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-6-Purinyl]Amino]-7,12-Dimethyl-1,2,3,4-Tetrahyd
• Molecular Formula: C₃₀H₃₁N₅O₆
• Molecular Weight: 557.60
• CAS Registry Number: 99745-70-7
• SMILES: [N]2(C1=NC=NC(=C1N=C2)NC3C5=C(C(O)C(O)C3O)C=CC6=C(C4=CC=CC=C4C(=C56)C)C)C7O[C@@H]([C@@H](O)C7)CO
• InChI: 1S/C30H31N5O6/c1-13-15-5-3-4-6-16(15)14(2)22-17(13)7-8-18-23(22)24(27(39)28(40)26(18)38)34-29-25-30(32-11-31-29)35(12-33-25)21-9-19(37)20(10-36)41-21/h3-8,11-12,19-21,24,26-28,36-40H,9-10H2,1-2H3,(H,31,32,34)/t19-,20+,21?,24?,26?,27?,28?/m0/s1
• InChIKey: MCZONDZGROJBST-WLYWPXNTSA-N

Properties

• Density: 1.66g/cm³ (Cal.)
• Boiling point: 926.25°C at 760 mmHg (Cal.)
• Flash point: 513.978°C (Cal.)