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Basic Information
CAS No.: 132628-16-1
Name: N2-Phenylacetyl guanosine
Article Data: 3
Molecular Structure:
Molecular Structure of 132628-16-1 (N2-Phenylacetyl guanosine)
Formula: C18H19N5O6
Molecular Weight: 401.379
Synonyms: Guanosine,N-(phenylacetyl)- (9CI);Guanosine,N-(2-phenylacetyl)-;
EINECS: 603-646-7
Density: 1.74 g/cm3
Melting Point: 189 °C
PSA: 162.59000
LogP: -1.01470
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Chemistry

Systematic Name: N-(Phenylacetyl)guanosine
Synonyms of N2-Phenylacetyl guanosine (CAS NO.132628-16-1): Guanosine,N-(2-phenylacetyl)- ; Guanosine,N-(phenylacetyl)-(9CI)
CAS NO: 132628-16-1
Molecular Formula: C18H19N5O6
Molecular Weight: 401.3734
Molecular Structure: 
H bond acceptors: 11
H bond donors: 5
Freely Rotating Bonds: 7
Polar Surface Area: 158.3Å2
Index of Refraction: 1.784
Molar Refractivity: 97.126 cm3
Molar Volume: 230.677 cm3
Surface Tension: 80.44 dyne/cm
Density: 1.74 g/cm3 
SMILES: O=C(N/C2=N/C(=O)c1ncn(c1N2)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO)Cc4ccccc4
InChI: InChI=1/C18H19N5O6/c24-7-10-13(26)14(27)17(29-10)23-8-19-12-15(23)21-18(22-16(12)28)20-11(25)6-9-4-2-1-3-5-9/h1-5,8,10,13-14,17,24,26-27H,6-7H2,(H2,20,21,22,25,28)/t10-,13-,14-,17-/m1/s1
InChIKey: IRSCBAKCFOLZNC-IWCJZZDYBW
Std. InChI: InChI=1S/C18H19N5O6/c24-7-10-13(26)14(27)17(29-10)23-8-19-12-15(23)21-18(22-16(12)28)20-11(25)6-9-4-2-1-3-5-9/h1-5,8,10,13-14,17,24,26-27H,6-7H2,(H2,20,21,22,25,28)/t10-,13-,14-,17-/m1/s1
Std. InChIKey: IRSCBAKCFOLZNC-IWCJZZDYSA-N