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CAS No.: | 473278-54-5 |
---|---|
Name: | 2'-O-(2-Methoxyethyl)guanosine |
Molecular Structure: | |
Formula: | C13H19N5O6 |
Molecular Weight: | 341.37 |
Synonyms: | LogP |
EINECS: | 1308068-626-2 |
Density: | 1.811 g/cm3 |
Boiling Point: | 715.0±70.0 °C(Predicted) |
PSA: | 157.74000 |
LogP: | -1.43480 |
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The 2'-O-(2-Methoxyethyl)guanosine has CAS registry number 473278-54-5. Its molecular formula is C13H19N5O6 and molecular weight is 341.3199. What's more, its systematic name is 2-Amino-9-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)tetrahydrofuran-2-yl]-1H-purin-6-one.
Physical properties about the 2'-O-(2-Methoxyethyl)guanosine are: (1)# of Rule of 5 Violations: 2; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.23; (5)ACD/KOC (pH 7.4): 3.213; (6)#H bond acceptors: 11; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 8; (9)Polar Surface Area: 153.45 Å2; (10)Index of Refraction: 1.745; (11)Molar Refractivity: 76.38 cm3; (12)Molar Volume: 188.515 cm3; (13)Surface Tension: 77.566 dyne/cm; (14)Density: 1.811 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: COCCO[C@H]1[C@H]([C@H](O[C@H]1n2cnc3c2nc([nH]c3=O)N)CO)O
(2) InChI: InChI=1/C13H19N5O6/c1-22-2-3-23-9-8(20)6(4-19)24-12(9)18-5-15-7-10(18)16-13(14)17-11(7)21/h5-6,8-9,12,19-20H,2-4H2,1H3,(H3,14,16,17,21)/t6-,8+,9+,12-/m1/s1
(3) InChIKey: DLLBJSLIKOKFHE-NNXMZFEEBJ