(2R,3S,5R)-2-(Hydroxymethyl)-5-[6-[(12-Methylbenzo[b]Phenanthren-7-Yl)Methylamino]Purin-9-Yl]Oxolan-3-Ol
[CAS# 78493-10-4]

Identification

• Name: (2R,3S,5R)-2-(Hydroxymethyl)-5-[6-[(12-Methylbenzo[b]Phenanthren-7-Yl)Methylamino]Purin-9-Yl]Oxolan-3-Ol
• Synonyms: (2R,3S,5R)-2-(Hydroxymethyl)-5-[6-[(12-Methylbenzo[B]Phenanthren-7-Yl)Methylamino]Purin-9-Yl]Tetrahydrofuran-3-Ol; (2R,3S,5R)-2-(Hydroxymethyl)-5-[6-[(12-Methyl-7-Benzo[B]Phenanthrenyl)Methylamino]-9-Purinyl]-3-Tetrahydrofuranol; (2R,3S,5R)-5-[6-[(12-Methylbenzo[B]Phenanthren-7-Yl)Methylamino]Purin-9-Yl]-2-Methylol-Tetrahydrofuran-3-Ol
• Molecular Formula: C₃₀H₂₇N₅O₃
• Molecular Weight: 505.58
• CAS Registry Number: 78493-10-4
• SMILES: [C@@H]7(C[C@H]([N]1C=NC2=C1N=CN=C2NCC3=C6C(=C(C4=C5C(=CC=C34)C=CC=C5)C)C=CC=C6)O[C@@H]7CO)O
• InChI: 1S/C30H27N5O3/c1-17-19-7-4-5-9-21(19)23(22-11-10-18-6-2-3-8-20(18)27(17)22)13-31-29-28-30(33-15-32-29)35(16-34-28)26-12-24(37)25(14-36)38-26/h2-11,15-16,24-26,36-37H,12-14H2,1H3,(H,31,32,33)/t24-,25+,26+/m0/s1
• InChIKey: QTJKRASRUTVRSR-JIMJEQGWSA-N

Properties

• Density: 1.465g/cm³ (Cal.)
• Boiling point: 853.663°C at 760 mmHg (Cal.)
• Flash point: 470.079°C (Cal.)