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122194-05-2

122194-05-2 | 6-Azido-1,6-dideoxy-3,4-O-isopropylidene-D-lyxo-2-hexulofuranose

CAS No: 122194-05-2 Catalog No: AG0016WL MDL No:

Product Description

Catalog Number:
AG0016WL
Chemical Name:
6-Azido-1,6-dideoxy-3,4-O-isopropylidene-D-lyxo-2-hexulofuranose
CAS Number:
122194-05-2
Molecular Formula:
C9H15N3O4
Molecular Weight:
229.2331
IUPAC Name:
(3aS,6R,6aS)-6-(azidomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
InChI:
InChI=1S/C9H15N3O4/c1-8(2)15-6-5(4-11-12-10)14-9(3,13)7(6)16-8/h5-7,13H,4H2,1-3H3/t5-,6+,7+,9?/m1/s1
InChI Key:
ITMTWRNHTCDZNL-VWQWZFRASA-N
SMILES:
CC1(O)O[C@@H]([C@H]2[C@@H]1OC(O2)(C)C)CN=[N+]=[N-]

Properties

Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
229.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.236g/mol
Monoisotopic Mass:
229.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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