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CAS No.: | 65371-16-6 |
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Name: | 6-AZIDO-6-DEOXY-1,2-O-ISOPROPYLIDENE-ALPHA-D-GLUCOFURANOSE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C9H15N3O5 |
Molecular Weight: | 245.23 |
Synonyms: | Glucofuranose,6-azido-6-deoxy-1,2-O-isopropylidene-, a-D- (6CI); |
Melting Point: | 101-103 °C |
Appearance: | White crystalline solid |
PSA: | 117.90000 |
LogP: | -0.65234 |
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The a-D-Glucofuranose,6-azido-6-deoxy-1,2-O-(1-methylethylidene)-, with the CAS registry number 65371-16-6, belongs to the product category of Carbohydrates & Derivatives. This chemical's molecular formula is C9H15N3O5 and molecular weight is 245.2325. Its systematic name is called (3aR,5R,6R,6aS)-5-(2-azido-1-hydroxy-ethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.
Physical properties of a-D-Glucofuranose,6-azido-6-deoxy-1,2-O-(1-methylethylidene)-: (1)ACD/LogP: 1.20; (2)ACD/LogD (pH 5.5): 1.195; (3)ACD/LogD (pH 7.4): 1.195; (4)ACD/BCF (pH 5.5): 4.767; (5)ACD/BCF (pH 7.4): 4.767; (6)ACD/KOC (pH 5.5): 106.435; (7)ACD/KOC (pH 7.4): 106.434; (8)#H bond acceptors: 8; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 80.51 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1(O[C@H]2[C@@H]([C@H](O[C@@H]2O1)C(CN=[N+]=[N-])O)O)C
(2)InChI: InChI=1/C9H15N3O5/c1-9(2)16-7-5(14)6(15-8(7)17-9)4(13)3-11-12-10/h4-8,13-14H,3H2,1-2H3/t4?,5-,6-,7+,8-/m1/s1
(3)InChIKey: MAJOJEYOMRHMDB-PXUUIUOKBC