Home Other Building Blocks α-L-Mannopyranoside, phenyl 6-deoxy-1-thio-

α-L-Mannopyranoside, phenyl 6-deoxy-1-thio-

CAS No.:
131724-82-8
Catalog Number:
AG000ZMO
Molecular Formula:
C12H16O4S
Molecular Weight:
256.3180
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Product Description
Catalog Number:
AG000ZMO
Chemical Name:
α-L-Mannopyranoside, phenyl 6-deoxy-1-thio-
CAS Number:
131724-82-8
Molecular Formula:
C12H16O4S
Molecular Weight:
256.3180
MDL Number:
MFCD09841184
IUPAC Name:
(2S,3R,4R,5R,6S)-2-methyl-6-phenylsulfanyloxane-3,4,5-triol
InChI:
InChI=1S/C12H16O4S/c1-7-9(13)10(14)11(15)12(16-7)17-8-5-3-2-4-6-8/h2-7,9-15H,1H3/t7-,9-,10+,11+,12-/m0/s1
InChI Key:
YBOVKFRFMWFKCC-CFVLRQLYSA-N
SMILES:
O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)C)Sc1ccccc1
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
256.077g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
256.316g/mol
Monoisotopic Mass:
256.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties