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126899-15-8

126899-15-8 | Thymidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-, 3'-phosphinate

CAS No: 126899-15-8 Catalog No: AG000TG7 MDL No:

Product Description

Catalog Number:
AG000TG7
Chemical Name:
Thymidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-, 3'-phosphinate
CAS Number:
126899-15-8
Molecular Formula:
C31H33N2O8P
Molecular Weight:
592.5761
IUPAC Name:
1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-phosphorosooxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C31H31N2O8P/c1-20-18-33(30(35)32-29(20)34)28-17-26(41-42-36)27(40-28)19-39-31(21-7-5-4-6-8-21,22-9-13-24(37-2)14-10-22)23-11-15-25(38-3)16-12-23/h4-16,18,26-28H,17,19H2,1-3H3,(H,32,34,35)
InChI Key:
NSILTLLZUHVJCX-UHFFFAOYSA-N
SMILES:
O=PO[C@H]1C[C@@H](O[C@@H]1COC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1)n1cc(C)c(=O)[nH]c1=O

Properties

Complexity:
948  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
590.182g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
590.569g/mol
Monoisotopic Mass:
590.182g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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