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34234-44-1 | (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triyl tribenzoate
CAS No: 34234-44-1 Catalog No: AG003RLE MDL No:MFCD06797128
Product Description
Catalog Number:
AG003RLE
Chemical Name:
(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triyl tribenzoate
CAS Number:
34234-44-1
Molecular Formula:
C28H26O9
Molecular Weight:
506.5006
MDL Number:
MFCD06797128
IUPAC Name:
[(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] benzoate
InChI:
InChI=1S/C28H26O9/c1-33-28-24(37-27(32)20-15-9-4-10-16-20)23(36-26(31)19-13-7-3-8-14-19)22(21(17-29)34-28)35-25(30)18-11-5-2-6-12-18/h2-16,21-24,28-29H,17H2,1H3/t21-,22-,23+,24-,28+/m1/s1
InChI Key:
BHQKQQXWEXIQMI-NRUNVSGISA-N
SMILES:
OC[C@H]1O[C@H](OC)[C@@H]([C@H]([C@@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
Properties
Complexity:
753
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
506.158g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
506.507g/mol
Monoisotopic Mass:
506.158g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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