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Home > Fluorides > 125699-00-5
125699-00-5 | D-Ribose, 5-thio-5-S-(trifluoromethyl)-
CAS No: 125699-00-5 Catalog No: AG000OI7 MDL No:
Product Description
Catalog Number:
AG000OI7
Chemical Name:
D-Ribose, 5-thio-5-S-(trifluoromethyl)-
CAS Number:
125699-00-5
Molecular Formula:
C6H9F3O4S
Molecular Weight:
234.1935
IUPAC Name:
(2R,3R,4S)-6,6,6-trifluoro-2,3,4,5-tetrahydroxyhexanethial
InChI:
InChI=1S/C6H9F3O4S/c7-6(8,9)5(13)4(12)3(11)2(10)1-14/h1-5,10-13H/t2-,3-,4-,5?/m0/s1
InChI Key:
HVTYWWCSHGVWID-OWMBCFKOSA-N
SMILES:
S=C[C@@H]([C@@H]([C@@H](C(C(F)(F)F)O)O)O)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
234.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
234.189g/mol
Monoisotopic Mass:
234.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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