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126138-81-6

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Basic Information
CAS No.: 126138-81-6
Name: 8-(Allyloxy)guanosine
Article Data: 1
Molecular Structure:
Molecular Structure of 126138-81-6 (8-(Allyloxy)guanosine)
Formula: C13H17N5O6
Molecular Weight: 339.308
Synonyms: 8-(2-Propenyloxy)guanosine;
Density: 1.892 g/cm3
Appearance: Off-White Solid
PSA: 168.74000
LogP: -1.54070
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Specification

The 8-(Allyloxy)guanosine, with the CAS registry number 126138-81-6, is also known as 8-(2-Propenyloxy)guanosine. It belongs to the product categories of Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Nucleotides. This chemical's molecular formula is C13H17N5O6 and molecular weight is 339.304. What's more, its systematic name is called 8-Allyloxy-2-amino-9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one. It can be used as a guanosine derivative as an immunostimulant.

Physical properties about 8-(Allyloxy)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): 20.123; (5)ACD/KOC (pH 7.4): 19.92; (6)#H bond acceptors: 11; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 8; (9)Polar Surface Area: 164.45 Å2; (10)Index of Refraction: 1.789; (11)Molar Refractivity: 75.842 cm3; (12)Molar Volume: 179.302 cm3; (13)Surface Tension: 85.959 dyne/cm; (14)Density: 1.892 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: C=CCOc1nc2c(=O)[nH]c(nc2n1[C@H]3[C@H](C([C@H](O3)CO)O)O)N
(2) InChI: InChI=1/C13H17N5O6/c1-2-3-23-13-15-6-9(16-12(14)17-10(6)22)18(13)11-8(21)7(20)5(4-19)24-11/h2,5,7-8,11,19-21H,1,3-4H2,(H3,14,16,17,22)/t5-,7?,8+,11-/m1/s1
(3) InChIKey: RQUVSNGNEJMOBE-DWVWSIQXBV