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74405-40-6 | 5'-O-(4,4'-Dimethoxytrityl);-thymidine-3'-O-succinic acid
CAS No: 74405-40-6 Catalog No: AG005LNI MDL No:
Product Description
Catalog Number:
AG005LNI
Chemical Name:
5'-O-(4,4'-Dimethoxytrityl);-thymidine-3'-O-succinic acid
CAS Number:
74405-40-6
Molecular Formula:
C35H36N2O10
Molecular Weight:
644.6677
IUPAC Name:
4-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid
InChI:
InChI=1S/C35H36N2O10/c1-22-20-37(34(42)36-33(22)41)30-19-28(47-32(40)18-17-31(38)39)29(46-30)21-45-35(23-7-5-4-6-8-23,24-9-13-26(43-2)14-10-24)25-11-15-27(44-3)16-12-25/h4-16,20,28-30H,17-19,21H2,1-3H3,(H,38,39)(H,36,41,42)/t28-,29+,30+/m0/s1
InChI Key:
ZGIVSINMMBIEBQ-FRXPANAUSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H](C[C@@H]1OC(=O)CCC(=O)O)n1cc(C)c(=O)[nH]c1=O
EC Number:
277-851-1
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
644.237g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
644.677g/mol
Monoisotopic Mass:
644.237g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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