Home Other Building Blocks IBU-DMT-DEOXYGUANOSINE SUCCINIC ACID

IBU-DMT-DEOXYGUANOSINE SUCCINIC ACID

CAS No.:
74405-46-2
Catalog Number:
AG00FDKU
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00FDKU
Chemical Name:
IBU-DMT-DEOXYGUANOSINE SUCCINIC ACID
CAS Number:
74405-46-2
MDL Number:
MFCD00057775
IUPAC Name:
4-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-4-oxobutanoic acid
InChI:
InChI=1S/C39H41N5O10/c1-23(2)36(48)42-38-41-35-34(37(49)43-38)40-22-44(35)31-20-29(54-33(47)19-18-32(45)46)30(53-31)21-52-39(24-8-6-5-7-9-24,25-10-14-27(50-3)15-11-25)26-12-16-28(51-4)17-13-26/h5-17,22-23,29-31H,18-21H2,1-4H3,(H,45,46)(H2,41,42,43,48,49)/t29-,30+,31+/m0/s1
InChI Key:
XQFLSGUZSODAOB-OJDZSJEKSA-N
EC Number:
277-854-8
Properties
Complexity:
1320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
739.285g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
739.782g/mol
Monoisotopic Mass:
739.285g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
189A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties