Product Name

1,3,4,6-Tetra-O-acetyl-2-azido-2-deoxy-alpha-D-glucopyranose Specification

The 1,3,4,6-Tetra-O-acetyl-2-azido-2-deoxy-alpha-D-glucopyranose, with CAS registry number 56883-33-1, belongs to the following product categories: (1)Biochemistry; (2)Glucose; (3)O-Substituted Sugars; (4)Sugars. It has the systematic name of [(2R,3S,4R,5R,6R)-3,4,6-triacetoxy-5-azido-tetrahydropyran-2-yl]methyl acetate. This chemical should be stored in the refrigerator.

Physical properties of 1,3,4,6-Tetra-O-acetyl-2-azido-2-deoxy-alpha-D-glucopyranose: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.966; (4)ACD/LogD (pH 7.4): 0.966; (5)ACD/BCF (pH 5.5): 3.19; (6)ACD/BCF (pH 7.4): 3.19; (7)ACD/KOC (pH 5.5): 79.849; (8)ACD/KOC (pH 7.4): 79.849; (9)#H bond acceptors: 12; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 126.79 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=O)C
(2)InChI: InChI=1/C14H19N3O9/c1-6(18)22-5-10-12(23-7(2)19)13(24-8(3)20)11(16-17-15)14(26-10)25-9(4)21/h10-14H,5H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1
(3)InChIKey: QKGHBQJLEHAMKJ-KSTCHIGDBN
(4)Std. InChI: InChI=1S/C14H19N3O9/c1-6(18)22-5-10-12(23-7(2)19)13(24-8(3)20)11(16-17-15)14(26-10)25-9(4)21/h10-14H,5H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1
(5)Std. InChIKey: QKGHBQJLEHAMKJ-KSTCHIGDSA-N

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