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Uridine,2'-amino-2'-deoxy- (26889-39-4)

Identification
Name:Uridine,2'-amino-2'-deoxy-
Synonyms:2'-Amino-2'-deoxyuridine;2'-Deoxy-2'-aminouridine;
CAS:26889-39-4
Molecular Formula: C91335
Molecular Weight: 259.22
InChI: InChI=1/C9H13N3O6/c10-9(17)6(15)4(3-13)18-7(9)12-2-1-5(14)11-8(12)16/h1-2,4,6-7,13,15,17H,3,10H2,(H,11,14,16)/t4-,6-,7-,9-/m1/s1
Molecular Structure: (C91335/sub) 2'-Amino-2'-deoxyuridine;2'-Deoxy-2'-aminouridine;
Properties
Density:1.707 g/cm3
Refractive index:1.662
Specification:

The cas register number of 2'-Amino-D-uridine is 26889-39-4. It also can be called as 2'-C-Aminouridine and the Systematic name about this chemical is Uridine, 2'-C-amino-.

Physical properties about 2'-Amino-D-uridine are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 6.94; (5)ACD/KOC (pH 7.4): 8.63; (6)#H bond acceptors: 9; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 145.35Å2; (10)Index of Refraction: 1.662; (11)Molar Refractivity: 56.18 cm3; (12)Molar Volume: 151.7 cm3; (14)Surface Tension: 96 dyne/cm; (15)Density: 1.707 g/cm3.

People can use the following data to convert to the molecule structure.
1.SMILES: c1cn(c(=O)[nH]c1=O)[C@H]2[C@]([C@@H]([C@H](O2)CO)O)(N)O
2.InChI: InChI=1/C9H13N3O6/c10-9(17)6(15)4(3-13)18-7(9)12-2-1-5(14)11-8(12)16/h1-2,4,6-7,13,15,17H,3,10H2,(H,11,14,16)/t4-,6-,7-,9-/m1/s1 
3.InChIKey: KUNAXQVBPHKGOC-FJGDRVTGBC
4.Std. InChI: InChI=1S/C9H13N3O6/c10-9(17)6(15)4(3-13)18-7(9)12-2-1-5(14)11-8(12)16/h1-2,4,6-7,13,15,17H,3,10H2,(H,11,14,16)/t4-,6-,7-,9-/m1/s1

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