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102185-26-2 | D-Allose, 3-(acetylamino)-3-deoxy-
CAS No: 102185-26-2 Catalog No: AG0006SZ MDL No:
Product Description
Catalog Number:
AG0006SZ
Chemical Name:
D-Allose, 3-(acetylamino)-3-deoxy-
CAS Number:
102185-26-2
Molecular Formula:
C8H15NO6
Molecular Weight:
221.2078
IUPAC Name:
N-[(2R,3R,4S,5R)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]acetamide
InChI:
InChI=1S/C8H15NO6/c1-4(12)9-7(5(13)2-10)8(15)6(14)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7-,8+/m0/s1
InChI Key:
COOPVYPQMRXUHU-FKSUSPILSA-N
SMILES:
OC[C@H]([C@H]([C@H]([C@H](C=O)O)NC(=O)C)O)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
221.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
221.209g/mol
Monoisotopic Mass:
221.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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