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88145-40-8 | 5'-Uridylic acid, 5-[1,2-bis[(2-hydroxyethyl)thio]ethyl]-2'-deoxy-, (R)-
CAS No: 88145-40-8 Catalog No: AG004D8A MDL No:
Product Description
Catalog Number:
AG004D8A
Chemical Name:
5'-Uridylic acid, 5-[1,2-bis[(2-hydroxyethyl)thio]ethyl]-2'-deoxy-, (R)-
CAS Number:
88145-40-8
Molecular Formula:
C15H25N2O10PS2
Molecular Weight:
488.4702
IUPAC Name:
[(2R,3S,5R)-5-[5-[1,2-bis(2-hydroxyethylsulfanyl)ethyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
InChI:
InChI=1S/C15H25N2O10PS2/c18-1-3-29-8-12(30-4-2-19)9-6-17(15(22)16-14(9)21)13-5-10(20)11(27-13)7-26-28(23,24)25/h6,10-13,18-20H,1-5,7-8H2,(H,16,21,22)(H2,23,24,25)/t10-,11+,12?,13+/m0/s1
InChI Key:
RFUGCGJWOXOJKZ-BKTIPYHCSA-N
SMILES:
OCCSC(c1cn([C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)c(=O)[nH]c1=O)CSCCO
Properties
Complexity:
690
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
488.069g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
488.463g/mol
Monoisotopic Mass:
488.069g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
237A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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