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| CAS No.: | 3676-72-0 |
|---|---|
| Name: | N2-Benzoyl-D-guanosine |
| Molecular Structure: | |
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| Formula: | C17H17N5O6 |
| Molecular Weight: | 387.352 |
| Synonyms: | Benzamide,N-(1,6-dihydro-6-oxo-9-b-D-ribofuranosyl-9H-purin-9-yl)- (8CI);2-N-Benzoylguanosine;N-Benzoylguanosine; |
| Density: | 1.8 g/cm3 |
| Melting Point: | 255-256oC |
| Appearance: | Off-white solid |
| PSA: | 162.59000 |
| LogP: | -0.94360 |
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Specification
The N2-Benzoyl-D-guanosine, with the cas registry number 3676-72-0, has the systematic name of N-(phenylcarbonyl)guanosine. It is a kind of off-white solid, and belongs to the following product categories: Bases; Related Reagents; Nucleotides. And the molecular formula of the chemical is C17H17N5O6.
The characteristics of this chemical are as followings: (1)ACD/LogP: -1.72; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.73; (4)ACD/LogD (pH 7.4): -2.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.71; (8)ACD/KOC (pH 7.4): 1.27; (9)#H bond acceptors: 11; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 107.72 Å2; (13)Index of Refraction: 1.809; (14)Molar Refractivity: 92.51 cm3; (15)Molar Volume: 214.6 cm3; (16)Polarizability: 36.67×10-24cm3; (17)Surface Tension: 85.2 dyne/cm; (18)Density: 1.8 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccccc1)N/C3=N/C(=O)c2ncn(c2N3)[C@@H]4O[C@@H]([C@@H](O)[C@H]4O)CO
(2)InChI: InChI=1/C17H17N5O6/c23-6-9-11(24)12(25)16(28-9)22-7-18-10-13(22)19-17(21-15(10)27)20-14(26)8-4-2-1-3-5-8/h1-5,7,9,11-12,16,23-25H,6H2,(H2,19,20,21,26,27)/t9-,11-,12-,16-/m1/s1
(3)InChIKey: WZKJANWNNBJHRS-UBEDBUPSBV