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| CAS No.: | 64350-24-9 |
|---|---|
| Name: | N2-(2-METHYLPROPANOYL)-GUANOSINE |
| Molecular Structure: | |
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| Formula: | C14H19N5O6 |
| Molecular Weight: | 353.335 |
| Synonyms: | N-Isobutyrylguanosine; |
| EINECS: | 2017-001-1 |
| Density: | 1.82 g/cm3 |
| Melting Point: | 148 °C |
| PSA: | 162.59000 |
| LogP: | -1.60140 |
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Specification
The Guanosine,N-(2-methyl-1-oxopropyl)-, with the CAS registry number 64350-24-9, is also known as N-Isobutyrylguanosine. It belongs to the product categories of Biochemistry; Nucleosides and their analogs; Nucleosides, Nucleotides & Related Reagents. This chemical's molecular formula is C14H19N5O6 and molecular weight is 353.33. Its systematic name is called N-(2-methylpropanoyl)guanosine.
Physical properties of Guanosine,N-(2-methyl-1-oxopropyl)-: (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): 12.95; (5)ACD/KOC (pH 7.4): 12.72; (6)#H bond acceptors: 11; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 6; (9)Index of Refraction: 1.777; (10)Molar Refractivity: 80.86 cm3; (11)Molar Volume: 193.2 cm3; (12)Surface Tension: 79 dyne/cm; (13)Density: 1.82 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)C(=O)N\C3=N\c1c(ncn1[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N3
(2)InChI: InChI=1/C14H19N5O6/c1-5(2)11(23)17-14-16-10-7(12(24)18-14)15-4-19(10)13-9(22)8(21)6(3-20)25-13/h4-6,8-9,13,20-22H,3H2,1-2H3,(H2,16,17,18,23,24)/t6-,8-,9-,13-/m1/s1
(3)InChIKey: OXTYJSXVUGJSGM-HTVVRFAVBL