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Home > Bromides > 1354486-61-5
1354486-61-5 | (2S,3S,4S,5R,6R)-2,3,4,5-Tetrakis(benzyloxy)-6-bromotetrahydro-2H-pyran
CAS No: 1354486-61-5 Catalog No: AG01ETEQ MDL No:
Product Description
Catalog Number:
AG01ETEQ
Chemical Name:
(2S,3S,4S,5R,6R)-2,3,4,5-Tetrakis(benzyloxy)-6-bromotetrahydro-2H-pyran
CAS Number:
1354486-61-5
Molecular Formula:
C33H33BrO5
Molecular Weight:
589.5161
IUPAC Name:
(2R,3R,4S,5S,6S)-2-bromo-3,4,5,6-tetrakis(phenylmethoxy)oxane
InChI:
InChI=1S/C33H33BrO5/c34-32-30(36-22-26-15-7-2-8-16-26)29(35-21-25-13-5-1-6-14-25)31(37-23-27-17-9-3-10-18-27)33(39-32)38-24-28-19-11-4-12-20-28/h1-20,29-33H,21-24H2/t29-,30-,31+,32+,33+/m1/s1
InChI Key:
CTKLYOLUBMYRCT-ZPZOKNLESA-N
SMILES:
Br[C@H]1O[C@H](OCc2ccccc2)[C@H]([C@@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
588.151g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
589.526g/mol
Monoisotopic Mass:
588.151g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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