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143873-67-0 | β-D-Altrofuranose, 3-amino-5-C-[2-carboxy-3-(carboxymethyl)-6-oxo-2-cyclohexen-1-yl]-3,6-dideoxy- (9CI)
CAS No: 143873-67-0 Catalog No: AG001IIY MDL No:
Product Description
Catalog Number:
AG001IIY
Chemical Name:
β-D-Altrofuranose, 3-amino-5-C-[2-carboxy-3-(carboxymethyl)-6-oxo-2-cyclohexen-1-yl]-3,6-dideoxy- (9CI)
CAS Number:
143873-67-0
Molecular Formula:
C15H21NO9
Molecular Weight:
359.3285
IUPAC Name:
5-[(1R)-1-[(2R,3S,4S)-3-amino-3,4,5-trihydroxyoxolan-2-yl]-1,2-dihydroxyethyl]-2-(carboxymethyl)-6-oxocyclohexene-1-carboxylic acid
InChI:
InChI=1S/C15H21NO11/c16-15(26)10(21)12(24)27-13(15)14(25,4-17)6-2-1-5(3-7(18)19)8(9(6)20)11(22)23/h6,10,12-13,17,21,24-26H,1-4,16H2,(H,18,19)(H,22,23)/t6?,10-,12?,13-,14+,15+/m1/s1
InChI Key:
ZVHZQSYVVVWFKK-JWYSHYMQSA-N
SMILES:
OC(=O)CC1=C(C(=O)O)C(C(=O)CC1)[C@@]([C@H]1O[C@H]([C@H]([C@@H]1N)O)O)(O)C
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
391.111g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
391.329g/mol
Monoisotopic Mass:
391.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
228A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.1
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