分析物名称

B-D-Threo-thymidylyl-(3'-5')-B-D-threo-thymidine-13C2 Ammonia Salt

分子式

C18¹³C2H27N4O12P.NH3

分子量

565.44

精确质量测定

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

无标签CAS登记号

1969-54-6 (free acid); 87367-14-4 (anion)

SIL类型

Carbon

存储温度

-20°C

运输温度

Room Temperature

原产国

CANADA

产品类型

Stable Isotope Labelled

产品形式

Neat