Home Halogens 2-AMino-6-chloro-9-[(2,3,5-tri-O-benzoyl- 2-C-Methyl-β-D-ribofuranosyl)]-9H-purine

2-AMino-6-chloro-9-[(2,3,5-tri-O-benzoyl- 2-C-Methyl-β-D-ribofuranosyl)]-9H-purine

CAS No.:
641571-44-0
Catalog Number:
AG00ENX9
Molecular Formula:
C32H26ClN5O7
Molecular Weight:
628.0311
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Product Description
Catalog Number:
AG00ENX9
Chemical Name:
2-AMino-6-chloro-9-[(2,3,5-tri-O-benzoyl- 2-C-Methyl-β-D-ribofuranosyl)]-9H-purine
CAS Number:
641571-44-0
Molecular Formula:
C32H26ClN5O7
Molecular Weight:
628.0311
MDL Number:
MFCD25542504
IUPAC Name:
[(2R,3R,4R,5R)-5-(2-amino-6-chloropurin-9-yl)-3,4-dibenzoyloxy-4-methyloxolan-2-yl]methyl benzoate
InChI:
InChI=1S/C32H26ClN5O7/c1-32(45-29(41)21-15-9-4-10-16-21)24(44-28(40)20-13-7-3-8-14-20)22(17-42-27(39)19-11-5-2-6-12-19)43-30(32)38-18-35-23-25(33)36-31(34)37-26(23)38/h2-16,18,22,24,30H,17H2,1H3,(H2,34,36,37)/t22-,24-,30-,32-/m1/s1
InChI Key:
HHGHJWFDGDHDSS-ZLZVUVTQSA-N
SMILES:
Nc1nc(Cl)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@@]1(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1
Properties
Complexity:
1050  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
627.152g/mol
Formal Charge:
0
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
628.038g/mol
Monoisotopic Mass:
627.152g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Properties