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101208-17-7 | 2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[(triphenylmethoxy)methyl]-, (3aR,4S,5R,6aS)-
CAS No: 101208-17-7 Catalog No: AG0003ZB MDL No:
Product Description
Catalog Number:
AG0003ZB
Chemical Name:
2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[(triphenylmethoxy)methyl]-, (3aR,4S,5R,6aS)-
CAS Number:
101208-17-7
Molecular Formula:
C34H30O5
Molecular Weight:
518.5990
IUPAC Name:
[2-oxo-4-(trityloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
InChI:
InChI=1S/C34H30O5/c35-32-21-28-29(31(22-30(28)38-32)39-33(36)24-13-5-1-6-14-24)23-37-34(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-31H,21-23H2
InChI Key:
ZNEMZGSWNSYYGM-UHFFFAOYSA-N
SMILES:
O=C1C[C@H]2[C@@H](O1)C[C@H]([C@@H]2COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)c1ccccc1
Properties
Complexity:
770
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.209g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
518.609g/mol
Monoisotopic Mass:
518.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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