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CAS No.: | 29847-23-2 |
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Name: | 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL AZIDE |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C8H14N4O5 |
Molecular Weight: | 246.223 |
Synonyms: | Glucopyranosylazide, 2-acetamido-2-deoxy- (6CI);Glucopyranosyl azide, 2-acetamido-2-deoxy-, b-D- (8CI); |
Melting Point: | 142 °C (decomp) |
PSA: | 148.77000 |
LogP: | -1.91594 |
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The beta-D-Glucopyranosylazide, 2-(acetylamino)-2-deoxy-, with the CAS registry number 29847-23-2, is also known as N-[2-Azido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide. It belongs to the product category of Carbohydrates & Derivatives. This chemical's molecular formula is C8H14N4O5 and molecular weight is 246.2206. Its systematic name is called N-[(2R,3R,4R,5S,6R)-2-azido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide.
Physical properties of beta-D-Glucopyranosylazide, 2-(acetylamino)-2-deoxy-: (1)ACD/LogP: -1.53; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6; (7)ACD/KOC (pH 7.4): 6; (8)#H bond acceptors: 9; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 111.38 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)NC1C(C(C(OC1N=[N+]=[N-])CO)O)O
(2)InChI: InChI=1/C8H14N4O5/c1-3(14)10-5-7(16)6(15)4(2-13)17-8(5)11-12-9/h4-8,13,15-16H,2H2,1H3,(H,10,14)/t4-,5-,6-,7-,8-/m1/s1
(3)InChIKey: CCZCDCDASZJFGK-FMDGEEDCBR