B-D-Threo-thymidylyl-(3'→5')-B-D-threo-thymidine-13C2 Ammonia Salt
Product Code
TRC-H423412
Product Format
Neat
Molecular Formula
C18¹³C2H27N4O12P.NH3
Molecular Weight
565.44
Product Categories
Product Type
Stable Isotope LabelledUnlabelled CAS Number
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
B-D-Threo-thymidylyl-(3'-5')-B-D-threo-thymidine-13C2 Ammonia Salt
Molecular Formula
C18¹³C2H27N4O12P.NH3
Molecular Weight
565.44
Accurate Mass
565.17
SMILES
O=C(N([C@@H]1O[C@H](CO)[C@@H](OP(OC[C@H]([C@@H](O)C2)O[C@H]2N(C(N3)=O)C=C(C)C3=O)(O)=O)C1)C=C4C)NC4=O.N
InChI
InChI=1S/C20H27N4O12P.H3N/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;/h5-6,11-16,25-26H,3-4,7-8H2,1-2H3,(H,31,32)(H,21,27,29)(H,22,28,30);1H3/t11-,12-,13+,14+,15+,16+;/m0./s1
IUPAC
((2R,3S,5R)-3-Hydroxy-5-(5-(methyl-13C)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl ((2R,3S,5R)-2-(hydroxymethyl)-5-(5-(methyl-13C)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl) hydrogen phosphate ammonia
Unlabelled CAS Number
1969-54-6 (free acid); 87367-14-4 (anion)
SIL Type
Carbon
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)