Home Aminos 4-Cyclohexene-1,2,3-triol,6-amino-4-(hydroxymethyl)-, (1S,2S,3R,6S)-

4-Cyclohexene-1,2,3-triol,6-amino-4-(hydroxymethyl)-, (1S,2S,3R,6S)-

CAS No.:
38231-86-6
Catalog Number:
AG007ARQ
Molecular Formula:
C7H13NO4
Molecular Weight:
175.1824
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Product Description
Catalog Number:
AG007ARQ
Chemical Name:
4-Cyclohexene-1,2,3-triol,6-amino-4-(hydroxymethyl)-, (1S,2S,3R,6S)-
CAS Number:
38231-86-6
Molecular Formula:
C7H13NO4
Molecular Weight:
175.1824
MDL Number:
MFCD04039711
IUPAC Name:
(1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
InChI:
InChI=1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1
InChI Key:
XPHOBMULWMGEBA-VZFHVOOUSA-N
SMILES:
OCC1=C[C@H](N)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
175.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
175.184g/mol
Monoisotopic Mass:
175.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1  
Literature
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Properties