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81246-82-4 | 5'-O-(4,4'-Dimethoxytrityl)-N6-benzoyl-adenosine
CAS No: 81246-82-4 Catalog No: AG0036FW MDL No:MFCD00797466
Product Description
Catalog Number:
AG0036FW
Chemical Name:
5'-O-(4,4'-Dimethoxytrityl)-N6-benzoyl-adenosine
CAS Number:
81246-82-4
Molecular Formula:
C38H35N5O7
Molecular Weight:
673.7138
MDL Number:
MFCD00797466
IUPAC Name:
N-[9-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]purin-6-yl]benzamide
InChI:
InChI=1S/C38H35N5O7/c1-47-28-17-13-26(14-18-28)38(25-11-7-4-8-12-25,27-15-19-29(48-2)20-16-27)49-21-30-32(44)33(45)37(50-30)43-23-41-31-34(39-22-40-35(31)43)42-36(46)24-9-5-3-6-10-24/h3-20,22-23,30,32-33,37,44-45H,21H2,1-2H3,(H,39,40,42,46)/t30-,32-,33-,37-/m1/s1
InChI Key:
QPHBEJADZCSKCY-GONXPTGJSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC(=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:
673.254g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
673.726g/mol
Monoisotopic Mass:
673.254g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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