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| CAS No.: | 20379-59-3 |
|---|---|
| Name: | 1-AZIDO-1-DEOXY-BETA-D-GLUCOPYRANOSIDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H11N3O5 |
| Molecular Weight: | 205.17 |
| Synonyms: | beta-D-Glucopyranosyl azide;4-Azido-4-deoxy-beta-D-glucose;4-Azido-4-deoxyglucose; |
| Melting Point: | 60-65 °C(lit.) |
| Safety: | 22-24/25 |
| PSA: | 139.90000 |
| LogP: | -2.45064 |
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- Total:20 Page 1 of 1 1
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Specification
The CAS register number of (2R,3S,4R,5S)-4-azido-2,3,5,6-tetrahydroxy-hexanal is 20379-59-3. It also can be called as 4-Azido-4-deoxy-beta-D-glucose and the IUPAC name about this chemical is (2R,3S,4R,5S)-4-azido-2,3,5,6-tetrahydroxyhexanal. The molecular formula about this chemical is C6H11N3O5 and the molecular weight is 205.17. It belongs to the following product categories which include Carbohydrate Synthesis; Click Chemistry; MonosaccharidesChemical Ligation; Organic Azides; Specialty Synthesis; Carbohydrates and so on. When you are using it, please do not breathe dust and avoid contact with skin and eyes.
Physical properties about (2R,3S,4R,5S)-4-azido-2,3,5,6-tetrahydroxy-hexanal are: (1)ACD/LogP: -1.17; (2)ACD/LogD (pH 5.5): -1.17; (3)ACD/LogD (pH 7.4): -1.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.51; (7)ACD/KOC (pH 7.4): 5.51; (8)#H bond acceptors: 8; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 66.35Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [N-]=[N+]=N\[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO
(2)InChI: InChI=1/C6H11N3O5/c7-9-8-5(3(12)1-10)6(14)4(13)2-11/h2-6,10,12-14H,1H2/t3-,4+,5-,6-/m1/s1
(3)InChIKey: QJDMQMIMGQKBTN-JGWLITMVBR
(4)Std. InChI: InChI=1S/C6H11N3O5/c7-9-8-5(3(12)1-10)6(14)4(13)2-11/h2-6,10,12-14H,1H2/t3-,4+,5-,6-/m1/s1
(5)Std. InChIKey: QJDMQMIMGQKBTN-JGWLITMVSA-N