2-(Methylsulfanyl)Adenosine 5'-(Dihydrogen Phosphate)
[CAS# 22140-20-1]

Identification

• Name: 2-(Methylsulfanyl)Adenosine 5'-(Dihydrogen Phosphate)
• Synonyms: 2-METHYLTHIOADENOSINE5-MONOPHOSPHATE
• Molecular Formula: C₁₁H₁₆N₅O₇PS
• Molecular Weight: 393.31
• CAS Registry Number: 22140-20-1
• SMILES: CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
• InChI: 1S/C11H16N5O7PS/c1-25-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
• InChIKey: XVTFTCNRRAQHEQ-KQYNXXCUSA-N

Properties

• Density: 2.2±0.1g/cm³ (Cal.)
• Boiling point: 861.3±75.0°C at 760 mmHg (Cal.)
• Flash point: 474.7±37.1°C (Cal.)
• Refractive index: 1.88 (Cal.)