CAS No.168427-74-5,2'-O-Moe-adenosine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	168427-74-5
Name:	2'-O-Moe-adenosine
Article Data:	8

Formula:	C₁₃H₁₉N₅O₅
Molecular Weight:	325.324
Synonyms:	2'-O-(2-METHOXYETHYL)ADENOSINE;
EINECS:	500-100-4
Density:	1.701 g/cm³
Boiling Point:	638.954 °C at 760 mmHg
Flash Point:	340.227 °C
PSA:	137.77000
LogP:	-0.72810

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Specification

The 2'-O-Moe-adenosine, with CAS registry number 168427-74-5, has the systematic name of (2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(2-methoxyethoxy)tetrahydrofuran-3-ol. Besides this, it is also called 2'-O-(2-Methoxyethyl)adenosine. And the chemical formula of this chemical is C₁₃H₁₉N₅O₅.

Physical properties of 2'-O-Moe-adenosine: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.446; (4)ACD/LogD (pH 7.4): 0.462; (5)ACD/BCF (pH 5.5): 1.274; (6)ACD/BCF (pH 7.4): 1.322; (7)ACD/KOC (pH 5.5): 40.956; (8)ACD/KOC (pH 7.4): 42.489; (9)#H bond acceptors: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 137.77 Å²; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 75.528 cm³; (15)Molar Volume: 191.25 cm³; (16)Polarizability: 29.942×10^-24cm³; (17)Surface Tension: 70.3 dyne/cm; (18)Density: 1.701 g/cm³; (19)Flash Point: 340.227 °C; (20)Enthalpy of Vaporization: 99.171 kJ/mol; (21)Boiling Point: 638.954 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COCCO[C@H]1[C@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O
(2)InChI: InChI=1/C13H19N5O5/c1-21-2-3-22-10-9(20)7(4-19)23-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3,(H2,14,15,16)/t7-,9+,10+,13-/m1/s1
(3)InChIKey: PUDXUJRJLRLJIU-ZRPKBAQZBN
(4)Std. InChI: InChI=1S/C13H19N5O5/c1-21-2-3-22-10-9(20)7(4-19)23-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3,(H2,14,15,16)/t7-,9+,10+,13-/m1/s1
(5)Std. InChIKey: PUDXUJRJLRLJIU-ZRPKBAQZSA-N