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13121-64-7 | 1,2,3,4-Butanetetrol, 1,1'-(2,5-pyrazinediyl)bis-, (1R,1'R,2R,2'R,3R,3'R)- (9CI)
CAS No: 13121-64-7 Catalog No: AG000VQE MDL No:
Product Description
Catalog Number:
AG000VQE
Chemical Name:
1,2,3,4-Butanetetrol, 1,1'-(2,5-pyrazinediyl)bis-, (1R,1'R,2R,2'R,3R,3'R)- (9CI)
CAS Number:
13121-64-7
Molecular Formula:
C12H20N2O8
Molecular Weight:
320.2958
IUPAC Name:
(1R,2R,3R)-1-[5-[(1R,2R,3R)-1,2,3,4-tetrahydroxybutyl]pyrazin-2-yl]butane-1,2,3,4-tetrol
InChI:
InChI=1S/C12H20N2O8/c15-3-7(17)11(21)9(19)5-1-13-6(2-14-5)10(20)12(22)8(18)4-16/h1-2,7-12,15-22H,3-4H2/t7-,8-,9-,10-,11+,12+/m1/s1
InChI Key:
NPWQIVOYGNUVEB-JKCCIXDMSA-N
SMILES:
OC[C@H]([C@@H]([C@@H](c1ncc(nc1)[C@H]([C@H]([C@@H](CO)O)O)O)O)O)O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
320.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
320.298g/mol
Monoisotopic Mass:
320.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.7
Literature
| Title | Journal |
|---|---|
| Synthesis of water-compatible imprinted polymers of in situ produced fructosazine and 2,5-deoxyfructosazine. | Talanta 20120915 |
| Reduction mechanism of tetrazolium salt XTT by a glucosamine derivative. | Bioscience, biotechnology, and biochemistry 20030201 |
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