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78103-27-2

78103-27-2 | D-Mannose,2-deoxy-2-[(fluoroacetyl)amino]- (9CI)

CAS No: 78103-27-2 Catalog No: AG0054ZN MDL No:

Product Description

Catalog Number:
AG0054ZN
Chemical Name:
D-Mannose,2-deoxy-2-[(fluoroacetyl)amino]- (9CI)
CAS Number:
78103-27-2
Molecular Formula:
C8H14FNO6
Molecular Weight:
239.1983
IUPAC Name:
2-fluoro-N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
InChI:
InChI=1S/C8H14FNO6/c9-1-6(14)10-4(2-11)7(15)8(16)5(13)3-12/h2,4-5,7-8,12-13,15-16H,1,3H2,(H,10,14)/t4-,5-,7-,8-/m1/s1
InChI Key:
VEJLAIIDMLUTRB-SJNFNFGESA-N
SMILES:
O=C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)CF

Properties

Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
239.081g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
239.199g/mol
Monoisotopic Mass:
239.081g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1  

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