Adenosine 5'-monophosphate monohydrate

The Adenosine 5'-monophosphate monohydrate, with the CAS registry number of 18422-05-4, is also known as A-5'-P. It belongs to the product categories of Nucleotides and Nucleic Acids. Its EINECS registry number is 200-500-0. This chemical's molecular formula is C₁₀H₁₆N₅O₈P and molecular weight is 365.24. What's more, its IUPAC name is [(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at -20°C.

Physical properties about the Adenosine 5'-monophosphate monohydrate are: (1)ACD/LogP: -0.22; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 12; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 129.1 Å²; (7)Flash Point: 436.7 °C; (8)Enthalpy of Vaporization: 121.77 kJ/mol; (9)Boiling Point: 798.5 °C at 760 mmHg; (10)Vapour Pressure: 6.7E-27 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES:O=P(O)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O.O
(2) InChI:InChI=1/C10H14N5O7P.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);1H2/t4-,6-,7-,10-;/m1./s1
(3) InChIKey:ZOEFQKVADUBYKV-MCDZGGTQBT