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87764-47-4 | D-Mannose,4-deoxy-4-fluoro-
CAS No: 87764-47-4 Catalog No: AG004FB8 MDL No:
Product Description
Catalog Number:
AG004FB8
Chemical Name:
D-Mannose,4-deoxy-4-fluoro-
CAS Number:
87764-47-4
Molecular Formula:
C6H11FO5
Molecular Weight:
182.1469
IUPAC Name:
(2S,3R,4R,5R)-4-fluoro-2,3,5,6-tetrahydroxyhexanal
InChI:
InChI=1S/C6H11FO5/c7-5(3(10)1-8)6(12)4(11)2-9/h2-6,8,10-12H,1H2/t3-,4-,5-,6-/m1/s1
InChI Key:
GCEGLMFBNPWYQO-KVTDHHQDSA-N
SMILES:
OC[C@H]([C@H]([C@@H]([C@@H](C=O)O)O)F)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
182.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
182.147g/mol
Monoisotopic Mass:
182.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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