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31077-88-0 | D-Mannopyranose, 2-deoxy-2-fluoro-
CAS No: 31077-88-0 Catalog No: AG00321O MDL No:MFCD00797602
Product Description
Catalog Number:
AG00321O
Chemical Name:
D-Mannopyranose, 2-deoxy-2-fluoro-
CAS Number:
31077-88-0
Molecular Formula:
C6H11FO5
Molecular Weight:
182.1469
MDL Number:
MFCD00797602
IUPAC Name:
(3S,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
InChI:
InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3+,4-,5-,6?/m1/s1
InChI Key:
ZCXUVYAZINUVJD-CBPJZXOFSA-N
SMILES:
OC[C@H]1OC(O)[C@H]([C@H]([C@@H]1O)O)F
Properties
Complexity:
155
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:
1
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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