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1018478-41-5 | 1-Piperidinecarboxylic acid, 3-hydroxy-4-[4-[[(2S)-3-methoxy-2-methylpropoxy]methyl]phenyl]-5-[(triphenylmethoxy)methyl]-, phenylmethyl ester, (3R,4R,5S)-
CAS No: 1018478-41-5 Catalog No: AG0005PA MDL No:
Product Description
Catalog Number:
AG0005PA
Chemical Name:
1-Piperidinecarboxylic acid, 3-hydroxy-4-[4-[[(2S)-3-methoxy-2-methylpropoxy]methyl]phenyl]-5-[(triphenylmethoxy)methyl]-, phenylmethyl ester, (3R,4R,5S)-
CAS Number:
1018478-41-5
Molecular Formula:
C45H49NO6
Molecular Weight:
699.8737
IUPAC Name:
benzyl 3-hydroxy-4-[4-[(3-methoxy-2-methylpropoxy)methyl]phenyl]-5-(trityloxymethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C45H49NO6/c1-34(29-49-2)30-50-31-36-23-25-37(26-24-36)43-38(27-46(28-42(43)47)44(48)51-32-35-15-7-3-8-16-35)33-52-45(39-17-9-4-10-18-39,40-19-11-5-12-20-40)41-21-13-6-14-22-41/h3-26,34,38,42-43,47H,27-33H2,1-2H3
InChI Key:
YSNORSVADGYGAD-UHFFFAOYSA-N
SMILES:
COC[C@@H](COCc1ccc(cc1)[C@@H]1[C@@H](O)CN(C[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1)C
Properties
Complexity:
962
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
699.356g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
699.888g/mol
Monoisotopic Mass:
699.356g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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