Adenosine,5'-O-(4,6-dihydroxy-2,4,6-trioxido-1,3,5,2,4,6-trioxatriphosphorinan-2-yl)- supplier

Name
cyclic adenosine-5'-trimetaphosphate
EINECS
CAS No. 53355-60-5
Article Data3
CAS DataBase
Density 2.78 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄N₅O₁₂P₃
Boiling Point 831.4 °C at 760 mmHg
Molecular Weight 489.169
Flash Point 456.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Adenosine,5'-O-(4,6-dihydroxy-1,3,5,2,4,6-trioxatriphosphorinan-2-yl)-,P,P',P''-trioxide;1,3,5,2,4,6-Trioxatriphosphorinane, adenosine deriv.;Adenosine 5'-trimetaphosphate;Monoadenosine 5'-trimetaphosphate;
PSA 277.33000
LogP -0.00220

Adenosine,5'-O-(4,6-dihydroxy-2,4,6-trioxido-1,3,5,2,4,6-trioxatriphosphorinan-2-yl)- Specification

The Adenosine,5'-O-(4,6-dihydroxy-2,4,6-trioxido-1,3,5,2,4,6-trioxatriphosphorinan-2-yl)- is an organic compound with the formula C₁₀H₁₄N₅O₁₂P₃. The systematic name of this chemical is 5'-O-(4,6-dihydroxy-2,4,6-trioxido-1,3,5,2,4,6-trioxatriphosphinan-2-yl)adenosine. With the CAS registry number 53355-60-5, it is also named as Adenosine-5'-trimetaphosphate.

Physical properties about Adenosine,5'-O-(4,6-dihydroxy-2,4,6-trioxido-1,3,5,2,4,6-trioxatriphosphorinan-2-yl)- are: (1)#H bond acceptors: 17; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 210.55 Å²; (5)Index of Refraction: 1.983; (6)Molar Refractivity: 86.94 cm³; (7)Molar Volume: 175.8 cm³; (8)Polarizability: 34.46×10^-24cm³; (9)Surface Tension: 216 dyne/cm; (10)Density: 2.78 g/cm³; (11)Flash Point: 456.6 °C; (12)Enthalpy of Vaporization: 126.64 kJ/mol; (13)Boiling Point: 831.4 °C at 760 mmHg; (14)Vapour Pressure: 2.67E-29 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P4(O)OP(=O)(OP(=O)(OC[C@H]3O[C@@H](n1c2ncnc(N)c2nc1)[C@H](O)[C@@H]3O)O4)O
(2)InChI: InChI=1/C10H14N5O12P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-30(22)26-28(18,19)25-29(20,21)27-30/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
(3)InChIKey: AJXBDVJYPUYBBS-KQYNXXCUBI
(4)Std. InChI: InChI=1S/C10H14N5O12P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-30(22)26-28(18,19)25-29(20,21)27-30/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
(5)Std. InChIKey: AJXBDVJYPUYBBS-KQYNXXCUSA-N

Product Name

cyclic adenosine-5'-trimetaphosphate

Adenosine,5'-O-(4,6-dihydroxy-2,4,6-trioxido-1,3,5,2,4,6-trioxatriphosphorinan-2-yl)- Specification

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