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85716-43-4 | (2S,3S,4S,5R,6S)-3,4,5-tris(benzyloxy)-2-(iodoMethyl)-6-Methoxytetrahydro-2H-pyran
CAS No: 85716-43-4 Catalog No: AG00G3LL MDL No:
Product Description
Catalog Number:
AG00G3LL
Chemical Name:
(2S,3S,4S,5R,6S)-3,4,5-tris(benzyloxy)-2-(iodoMethyl)-6-Methoxytetrahydro-2H-pyran
CAS Number:
85716-43-4
Molecular Formula:
C28H31IO5
Molecular Weight:
574.4472
IUPAC Name:
(2S,3S,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
InChI:
InChI=1S/C28H31IO5/c1-30-28-27(33-20-23-15-9-4-10-16-23)26(32-19-22-13-7-3-8-14-22)25(24(17-29)34-28)31-18-21-11-5-2-6-12-21/h2-16,24-28H,17-20H2,1H3/t24-,25-,26+,27-,28+/m1/s1
InChI Key:
ZONZORQBUQHJKK-DFLSAPQXSA-N
SMILES:
IC[C@H]1O[C@H](OC)[C@@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
574.122g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
574.455g/mol
Monoisotopic Mass:
574.122g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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