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1941-52-2 | (2R,3R,4S,5R);-6,6-Bis(ethylthio);hexane-1,2,3,4,5-pentaol
CAS No: 1941-52-2 Catalog No: AG003PA4 MDL No:MFCD00004706
Product Description
Catalog Number:
AG003PA4
Chemical Name:
(2R,3R,4S,5R);-6,6-Bis(ethylthio);hexane-1,2,3,4,5-pentaol
CAS Number:
1941-52-2
Molecular Formula:
C10H22O5S2
Molecular Weight:
286.4087
MDL Number:
MFCD00004706
IUPAC Name:
(2R,3R,4S,5R)-6,6-bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol
InChI:
InChI=1S/C10H22O5S2/c1-3-16-10(17-4-2)9(15)8(14)7(13)6(12)5-11/h6-15H,3-5H2,1-2H3/t6-,7-,8+,9-/m1/s1
InChI Key:
BTOYCPDACQXQRS-LURQLKTLSA-N
SMILES:
CCSC([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)SCC
EC Number:
217-728-1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
286.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
286.401g/mol
Monoisotopic Mass:
286.091g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Synthesis of 4-cyano and 4-nitrophenyl 1,6-dithio-D-manno-, L-ido- and D-glucoseptanosides possessing antithrombotic activity. | Carbohydrate research 20020903 |
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