200,000+ products from a single source!
sales@angenechem.com
142217-81-0 | 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-
CAS No: 142217-81-0 Catalog No: AG001HZI MDL No:MFCD11977291
Product Description
Catalog Number:
AG001HZI
Chemical Name:
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-
CAS Number:
142217-81-0
Molecular Formula:
C26H27N5O3
Molecular Weight:
457.5243
MDL Number:
MFCD11977291
IUPAC Name:
2-amino-9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-1H-purin-6-one
InChI:
InChI=1S/C26H27N5O3/c1-17-20(15-33-13-18-8-4-2-5-9-18)22(34-14-19-10-6-3-7-11-19)12-21(17)31-16-28-23-24(31)29-26(27)30-25(23)32/h2-11,16,20-22H,1,12-15H2,(H3,27,29,30,32)/t20-,21-,22-/m0/s1
InChI Key:
KROVOOOAPHSWCR-FKBYEOEOSA-N
SMILES:
Nc1[nH]c(=O)c2c(n1)n(cn2)[C@H]1C[C@@H]([C@H](C1=C)COCc1ccccc1)OCc1ccccc1
UNII:
IEC6P1L62X
Properties
Complexity:
762
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
457.211g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
457.534g/mol
Monoisotopic Mass:
457.211g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.