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115827-10-6 | D-Fructose, 6-azido-6-deoxy-
CAS No: 115827-10-6 Catalog No: AG000GXN MDL No:
Product Description
Catalog Number:
AG000GXN
Chemical Name:
D-Fructose, 6-azido-6-deoxy-
CAS Number:
115827-10-6
Molecular Formula:
C6H11N3O5
Molecular Weight:
205.1686
IUPAC Name:
(3S,4R,5R)-6-azido-1,3,4,5-tetrahydroxyhexan-2-one
InChI:
InChI=1S/C6H11N3O5/c7-9-8-1-3(11)5(13)6(14)4(12)2-10/h3,5-6,10-11,13-14H,1-2H2/t3-,5-,6-/m1/s1
InChI Key:
DHCFCMVDOWDQHL-UYFOZJQFSA-N
SMILES:
[N-]=[N+]=NC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
205.07g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
205.17g/mol
Monoisotopic Mass:
205.07g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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