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69266-16-6 | 1-Azido-1-deoxy-β-D-lactopyranoside
CAS No: 69266-16-6 Catalog No: AG003DYE MDL No:
Product Description
Catalog Number:
AG003DYE
Chemical Name:
1-Azido-1-deoxy-β-D-lactopyranoside
CAS Number:
69266-16-6
Molecular Formula:
C12H21N3O10
Molecular Weight:
367.3092
IUPAC Name:
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-azido-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C12H21N3O10/c13-15-14-11-8(21)7(20)10(4(2-17)23-11)25-12-9(22)6(19)5(18)3(1-16)24-12/h3-12,16-22H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
InChI Key:
FJOYNMRZUBUGGP-DCSYEGIMSA-N
SMILES:
OCC1OC(N=[N+]=[N-])C(C(C1OC1OC(CO)C(C(C1O)O)O)O)O
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
367.123g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
367.311g/mol
Monoisotopic Mass:
367.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-3.2
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