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Basic Information
CAS No.: 110104-37-5
Name: N2-ACETYL-9-[(2'-HYDROXYETHOXY)METHYL]GUANINE
Article Data: 1
Molecular Structure:
Molecular Structure of 110104-37-5 (N2-ACETYL-9-[(2'-HYDROXYETHOXY)METHYL]GUANINE)
Formula: C10H13N5O4
Molecular Weight: 267.244
Synonyms: 9-[(2-Hydroxyethoxy)methyl]-N2-acetylguanine;N2-Acetylaciclovir;
Density: 1.63 g/cm3
Melting Point: 217℃
PSA: 122.13000
LogP: -0.88260
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Specification

The Acetamide,N-[6,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6-oxo-1H-purin-2-yl]-, also known as N-[6,9-Dihydro-9-[(2-hydroxyethoxy)methyl]-6-oxo-1H-purin-2-yl]acetamide, is the organic compound with the formula C10H13N5O4. With the CAS registry number 110104-37-5, its systematic name is N-{9-[(2-hydroxyethoxy)methyl]-6-oxo-6,9-dihydro-3H-purin-2-yl}acetamide.

Physical properties of Acetamide,N-[6,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6-oxo-1H-purin-2-yl]-: (1)ACD/LogP: -3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.51; (4)ACD/LogD (pH 7.4): -3.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.702; (13)Molar Refractivity: 63.46 cm3; (14)Molar Volume: 163.7 cm3; (15)Surface Tension: 69.4 dyne/cm; (16)Density: 1.63 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC/1=N/C(=O)c2ncn(c2N\1)COCCO)C
(2)InChI: InChI=1/C10H13N5O4/c1-6(17)12-10-13-8-7(9(18)14-10)11-4-15(8)5-19-3-2-16/h4,16H,2-3,5H2,1H3,(H2,12,13,14,17,18)
(3)InChIKey: DJMINGJGFGSDDB-UHFFFAOYAX