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178738-66-4 | α-D-Glucopyranosylamine, N-2-propen-1-yl-
CAS No: 178738-66-4 Catalog No: AG00269G MDL No:
Product Description
Catalog Number:
AG00269G
Chemical Name:
α-D-Glucopyranosylamine, N-2-propen-1-yl-
CAS Number:
178738-66-4
Molecular Formula:
C9H17NO5
Molecular Weight:
219.2350
IUPAC Name:
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(prop-2-enylamino)oxane-3,4,5-triol
InChI:
InChI=1S/C9H17NO5/c1-2-3-10-9-8(14)7(13)6(12)5(4-11)15-9/h2,5-14H,1,3-4H2/t5-,6-,7+,8-,9+/m1/s1
InChI Key:
HYHFUUJWYZCDBC-ZEBDFXRSSA-N
SMILES:
C=CCN[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
219.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
219.237g/mol
Monoisotopic Mass:
219.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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