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CAS No.: | 56883-39-7 |
---|---|
Name: | 2-Azido-2-deoxy-D-glucose |
Molecular Structure: | |
Formula: | C6H11N3O5 |
Molecular Weight: | 205.1686 |
Synonyms: | 2-Azido-2-deoxy-D-glucose;4-Azido-4-deoxy-D-glucose;4-Azido-4-deoxy-beta-D-glucose;D-glucose, 4-azido-4-deoxy-; |
EINECS: | 635-821-9 |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
Safety: | 36/37 |
PSA: | 139.90000 |
LogP: | -2.45064 |
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Molecular Structure of D-Glucose,2-azido-2-deoxy- (CAS NO.35899-89-9):
Empirical Formula: C6H11N3O5
Molecular Weight: 205.1686
CAS: 56883-39-7
ACD/LogP: -1.17
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -1.17
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 5.51
ACD/KOC (pH 7.4): 5.51
H bond acceptors: 8
H bond donors: 4
Freely Rotating Bonds: 10
Polar Surface Area: 66.35 Å2
SMILES: [N-]=[N+]=N\[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO
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
D-Glucose,2-azido-2-deoxy- , with CAS number of 35899-89-9, can be called 2-Azido-2-deoxy-D-glucose ; 4-Azido-4-deoxy-D-glucose ; 4-Azido-4-deoxy-beta-D-glucose ; D-glucose, 4-azido-4-deoxy- .