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Product Information
Chemical Data
Analyte Name
Thymidylyl-3'-5'-thymidine Triethyl Amine Salt
Molecular Formula
C20H27N4O12P.xC6H15N
Molecular Weight
647.612
Accurate Mass
647.257
SMILES
CC1=CN([C@H]2C[C@H](OP(O)(OCC3[C@@H](O)C[C@H](N4C=C(C)C(NC4=O)=O)O3)=O)[C@@H](CO)O2)C(NC1=O)=O.CCN(CC)CC
InChI
InChI=1S/C20H27N4O12P.C6H15N/c1-9-5-23(19(29)21-17(9)27)15-3-11(26)14(35-15)8-33-37(31,32)36-12-4-16(34-13(12)7-25)24-6-10(2)18(28)22-20(24)30;1-4-7(5-2)6-3/h5-6,11-16,25-26H,3-4,7-8H2,1-2H3,(H,31,32)(H,21,27,29)(H,22,28,30);4-6H2,1-3H3/t11-,12-,13+,14?,15+,16+;/m0./s1
IUPAC
triethylamine ((3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl ((2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl) phosphate
Alternate CAS Number
1969-54-6
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)