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129970-93-0 | β-D-Mannopyranoside, 4-aminophenyl 1-thio-
CAS No: 129970-93-0 Catalog No: AG000TTU MDL No:MFCD00210749
Product Description
Catalog Number:
AG000TTU
Chemical Name:
β-D-Mannopyranoside, 4-aminophenyl 1-thio-
CAS Number:
129970-93-0
Molecular Formula:
C12H17NO5S
Molecular Weight:
287.3321
MDL Number:
MFCD00210749
IUPAC Name:
(2S,3S,4S,5S,6R)-2-(4-aminophenyl)sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10+,11+,12+/m1/s1
InChI Key:
XCNVFDDRUPMRPU-GCHJQGSQSA-N
SMILES:
OC[C@H]1O[C@@H](Sc2ccc(cc2)N)[C@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
287.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
287.33g/mol
Monoisotopic Mass:
287.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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