200,000+ products from a single source!

sales@angenechem.com

Home > Amines > 142217-79-6

142217-79-6

142217-79-6 | Cyclopentanone, 5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, (2R,3S,5S)-

CAS No: 142217-79-6 Catalog No: AG001HZK MDL No:MFCD13185974

Product Description

Catalog Number:
AG001HZK
Chemical Name:
Cyclopentanone, 5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, (2R,3S,5S)-
CAS Number:
142217-79-6
Molecular Formula:
C52H47N5O5
Molecular Weight:
821.9601
MDL Number:
MFCD13185974
IUPAC Name:
(2R,3S,5S)-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-one
InChI:
InChI=1S/C52H47N5O5/c1-59-43-29-27-42(28-30-43)52(40-23-13-5-14-24-40,41-25-15-6-16-26-41)56-51-54-49-47(50(55-51)62-34-39-21-11-4-12-22-39)53-36-57(49)45-31-46(61-33-38-19-9-3-10-20-38)44(48(45)58)35-60-32-37-17-7-2-8-18-37/h2-30,36,44-46H,31-35H2,1H3,(H,54,55,56)/t44-,45+,46+/m1/s1
InChI Key:
JBDUMGNQMZHOMS-QZVMJXQOSA-N
SMILES:
COc1ccc(cc1)C(c1ccccc1)(c1ccccc1)Nc1nc(OCc2ccccc2)c2c(n1)n(cn2)[C@H]1C[C@@H]([C@H](C1=O)COCc1ccccc1)OCc1ccccc1

Properties

Complexity:
1320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
821.358g/mol
Formal Charge:
0
Heavy Atom Count:
62  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
821.978g/mol
Monoisotopic Mass:
821.358g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7  

Related Products

© 2019 Angene International Limited. All rights Reserved.