Home Other Building Blocks Inosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl- (9CI)

Inosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl- (9CI)

CAS No.:
128219-84-1
Catalog Number:
AG000XW4
Molecular Formula:
C32H32N4O7
Molecular Weight:
584.6191
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Product Description
Catalog Number:
AG000XW4
Chemical Name:
Inosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl- (9CI)
CAS Number:
128219-84-1
Molecular Formula:
C32H32N4O7
Molecular Weight:
584.6191
MDL Number:
MFCD01630998
IUPAC Name:
9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C32H32N4O7/c1-39-23-13-9-21(10-14-23)32(20-7-5-4-6-8-20,22-11-15-24(40-2)16-12-22)42-17-25-27(37)28(41-3)31(43-25)36-19-35-26-29(36)33-18-34-30(26)38/h4-16,18-19,25,27-28,31,37H,17H2,1-3H3,(H,33,34,38)/t25-,27-,28-,31-/m1/s1
InChI Key:
KXFBGUCGEWPHRA-QWOIFIOOSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OC)n1cnc2c1ncnc2O
Properties
Complexity:
924  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
584.227g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
584.629g/mol
Monoisotopic Mass:
584.227g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties