1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-4-methoxy-2(1H)-pyrimidinone
[CAS# 88254-09-5]

Identification

• Name: 1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-4-methoxy-2(1H)-pyrimidinone
• Synonyms: 2(1H)-Pyrimidinone, 1-(2-deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-β-D-erythro-pentofuranosyl)-4-methoxy-; mTTP; O(4)-Methyldeoxythymidine triphosphate
• Molecular Formula: C₁₀H₁₇N₂O₁₄P₃
• Molecular Weight: 482.17
• CAS Registry Number: 88254-09-5
• SMILES: O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N/1C(=O)/N=C(/OC)\C=C\1)C[C@@H]2O
• InChI: 1S/C10H17N2O14P3/c1-22-8-2-3-12(10(14)11-8)9-4-6(13)7(24-9)5-23-28(18,19)26-29(20,21)25-27(15,16)17/h2-3,6-7,9,13H,4-5H2,1H3,(H,18,19)(H,20,21)(H2,15,16,17)/t6-,7+,9+/m0/s1
• InChIKey: ZAWCFGYFIBJFJH-LKEWCRSYSA-N

Properties

• Density: 2.187g/cm³ (Cal.)
• Boiling point: 759.712°C at 760 mmHg (Cal.)
• Flash point: 413.259°C (Cal.)