3'-Deoxyadenosine 5'-(tetrahydrogen triphosphate)
[CAS# 71997-32-5]

Identification

• Name: 3'-Deoxyadenosine 5'-(tetrahydrogen triphosphate)
• Synonyms: {[(2S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxyphosphoryl) dihydrogen phosphate; 3AT; 3'dATP
• Molecular Formula: C₁₀H₁₆N₅O₁₂P₃
• Molecular Weight: 491.18
• CAS Registry Number: 71997-32-5
• SMILES: C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O
• InChI: 1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1
• InChIKey: NLIHPCYXRYQPSD-BAJZRUMYSA-N

Properties

• Density: 2.5±0.1g/cm³ (Cal.)
• Boiling point: 913.3±75.0°C at 760 mmHg (Cal.)
• Flash point: 506.1±37.1°C (Cal.)