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115250-38-9 | Cyclohexanone, 5-hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-, (2R,3S,4S,5S)-
CAS No: 115250-38-9 Catalog No: AG000GI9 MDL No:MFCD09838991
Product Description
Catalog Number:
AG000GI9
Chemical Name:
Cyclohexanone, 5-hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-, (2R,3S,4S,5S)-
CAS Number:
115250-38-9
Molecular Formula:
C35H36O6
Molecular Weight:
552.6567
MDL Number:
MFCD09838991
IUPAC Name:
(2R,3S,4S,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexan-1-one
InChI:
InChI=1S/C35H36O6/c36-31-21-35(37,26-38-22-27-13-5-1-6-14-27)34(41-25-30-19-11-4-12-20-30)33(40-24-29-17-9-3-10-18-29)32(31)39-23-28-15-7-2-8-16-28/h1-20,32-34,37H,21-26H2/t32-,33+,34-,35-/m0/s1
InChI Key:
JWXHKWBUBUUEFP-SNSGHMKVSA-N
SMILES:
O=C1C[C@](O)(COCc2ccccc2)[C@H]([C@@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
750
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
552.251g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
552.667g/mol
Monoisotopic Mass:
552.251g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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