Adenosine, cyclic3',5'-(methylphosphonate) (9CI) supplier

Name
adenosine 3',5'-cyclic methylphosphonate
EINECS
CAS No. 117571-83-2
Density 1.92 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄N₅O₅P
Boiling Point 681.6 °C at 760 mmHg
Molecular Weight 327.2331
Flash Point 366 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms adenosine 3,5-cyclic methylphosphonate;3,5-Cyclic Methylphosphonate Adenosine
PSA 155.42000
LogP 0.37960

Adenosine, cyclic3',5'-(methylphosphonate) (9CI) Specification

The Adenosine, cyclic3',5'-(methylphosphonate) (9CI), with the CAS registry number 117571-83-2, is also known as Adenosine 3',5'-cyclic methylphosphonate. This chemical's molecular formula is C₁₁H₁₄N₅O₅P and molecular weight is 327.2331. What's more, its IUPAC name is [(2R,3S)-5-(6-Aminopurin-9-yl)-3-hydroxy-2,3-dihydrofuran-2-yl]methoxy-methylphosphinic acid.

Physical properties about this chemical are: (1)ACD/LogP: -2.64; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 10; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 110.64 Å²; (7)Index of Refraction: 1.797; (8)Molar Refractivity: 72.62 cm³; (9)Molar Volume: 170.3 cm³; (10)Polarizability: 28.79×10^-24cm³; (11)Surface Tension: 97.6 dyne/cm; (12)Density: 1.92 g/cm³; (13)Flash Point: 366 °C; (14)Enthalpy of Vaporization: 105.04 kJ/mol; (15)Boiling Point: 681.6 °C at 760 mmHg; (16)Vapour Pressure: 1.63E-19 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(OC[C@H]1O\C(=C/[C@@H]1O)n2c3ncnc(N)c3nc2)(O)C
(2) InChI: InChI=1/C11H14N5O5P/c1-22(18,19)20-3-7-6(17)2-8(21-7)16-5-15-9-10(12)13-4-14-11(9)16/h2,4-7,17H,3H2,1H3,(H,18,19)(H2,12,13,14)/t6-,7+/m0/s1
(3) InChIKey: RDHJPAYSVRFIMN-NKWVEPMBBN

Product Name

adenosine 3',5'-cyclic methylphosphonate

Adenosine, cyclic3',5'-(methylphosphonate) (9CI) Specification

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