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CAS No.: | 108342-86-5 |
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Name: | 2,3,4,6-Tetra-O-pivaloyl-b-D-galactopyranosyl azide |
Molecular Structure: | |
Formula: | C26H43N3O9 |
Molecular Weight: | 541.6343 |
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The 2,3,4,6-Tetra-O-pivaloyl-b-D-galactopyranosyl azide is an organic compound with the formula C26H43N3O9. With the CAS registry number 108342-86-5, the systematic name of this chemical is 2-azido-6-{[(2,2-dimethylpropanoyl)oxy]methyl}tetrahydro-2H-pyran-3,4,5-triyl tris(2,2-dimethylpropanoate) (non-preferred name).
Physical properties about 2,3,4,6-Tetra-O-pivaloyl-b-D-galactopyranosyl azide are: (1)ACD/LogP: 6.61; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 12; (4)#Freely Rotating Bonds: 14; (5)Polar Surface Area: 126.79 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [N-]=[N+]=N\C1OC(C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C)COC(=O)C(C)(C)C
(2)InChI: InChI=1/C26H43N3O9/c1-23(2,3)19(30)34-13-14-15(36-20(31)24(4,5)6)16(37-21(32)25(7,8)9)17(18(35-14)28-29-27)38-22(33)26(10,11)12/h14-18H,13H2,1-12H3
(3)InChIKey: ZRIINKFKQWXADE-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C26H43N3O9/c1-23(2,3)19(30)34-13-14-15(36-20(31)24(4,5)6)16(37-21(32)25(7,8)9)17(18(35-14)28-29-27)38-22(33)26(10,11)12/h14-18H,13H2,1-12H3
(5)Std. InChIKey: ZRIINKFKQWXADE-UHFFFAOYSA-N