Home > Product Catalog > Product category > Nucleoside > 2,4(1H,3H)-Pyrimidinedione,5-(2-bromoethenyl)-1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-4-thio-α-D-erythro-pentofuranosyl]-,(E)-

2,4(1H,3H)-Pyrimidinedione,5-(2-bromoethenyl)-1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-4-thio-α-D-erythro-pentofuranosyl]-,(E)-

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Catalog No. : NC18050

CAS No. : 134700-20-2

Product Level :

Brand : NewCan Bio

Molecular Formula : C₂₇H₂₅BrN₂O₆S

Chemical Name : 2,4(1H,3H)-Pyrimidinedione,5-(2-bromoethenyl)-1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-4-thio-α-D-erythro-pentofuranosyl]-,(E)-

Molecular Weight : 585.47

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Basic information

Standard English name
Cas No.	134700-20-2
Alias	(2R,3S,5S)-5-(5-((E)-2-bromovinyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-(((4-methylbenzoyl)oxy)methyl)tetrahydrothiophen-3-yl 4-methylbenzoate
Canonical Smiles	CC1C=CC(=CC=1)C(=O)OC[C@H]1S[C@@H](C[C@@H]1OC(=O)C1=CC=C(C)C=C1)N1C=C(/C=C/Br)C(=O)NC1=O
MDL No.
Exact Mass	584.06167
Smiles	O=C1NC(C(/C=C/Br)=CN1[C@@H]2C[C@@H]([C@@H](COC(C3=CC=C(C)C=C3)=O)S2)OC(C4=CC=C(C)C=C4)=O)=O

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Inchi	InChI=1S/C27H25BrN2O6S/c1-16-3-7-18(8-4-16)25(32)35-15-22-21(36-26(33)19-9-5-17(2)6-10-19)13-23(37-22)30-14-20(11-12-28)24(31)29-27(30)34/h3-12,14,21-23H,13,15H2,1-2H3,(H,29,31,34)/b12-11+/t21-,22+,23-/m0/s1
InchiKey	JWJXQJRACHSWQJ-REZPBFHGSA-N
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