N(6)-Monobutyryl-2'-Deoxycyclic Adenosine Monophosphate
[CAS# 61866-09-9]

Identification

• Name: N(6)-Monobutyryl-2'-Deoxycyclic Adenosine Monophosphate
• Synonyms: N-[9-[(1S,6R,8R)-3-Hydroxy-3-Oxo-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-8-Yl]-6-Purinyl]Butanamide; N-[9-[(1S,6R,8R)-3-Hydroxy-3-Keto-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-8-Yl]Purin-6-Yl]Butyramide; Adenosine, 2'-Deoxy-N-(1-Oxobutyl)-, Cyclic 3',5'-(Hydrogen Phosphate)
• Molecular Formula: C₁₄H₁₈N₅O₆P
• Molecular Weight: 383.30
• CAS Registry Number: 61866-09-9
• SMILES: [C@@H]14O[P](OC[C@H]1O[C@@H]([N]2C3=C(N=C2)C(=NC=N3)NC(=O)CCC)C4)(=O)O
• InChI: 1S/C14H18N5O6P/c1-2-3-10(20)18-13-12-14(16-6-15-13)19(7-17-12)11-4-8-9(24-11)5-23-26(21,22)25-8/h6-9,11H,2-5H2,1H3,(H,21,22)(H,15,16,18,20)/t8-,9+,11+/m0/s1
• InChIKey: PGBAADZFIQHGBW-IQJOONFLSA-N

Properties

• Density: 1.875g/cm³ (Cal.)