Home > Product Catalog > Product category > Nucleoside > 2-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-7-(5-O-phosphono-beta-D-ribofuranosyl)-7H-purin-6-amine

2-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-7-(5-O-phosphono-beta-D-ribofuranosyl)-7H-purin-6-amine

Catalog No. : NC21046

CAS No. : 99098-32-5

Product Level :

Brand : NewCan Bio

Molecular Formula : C₁₄H₁₇BrN₅O₉PS

Chemical Name : 2-[(4-Bromo-2,3-dioxobutyl)sulfanyl]-7-(5-O-phosphono-beta-D-ribofuranosyl)-7H-purin-6-amine

Molecular Weight : 542.26

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Basic information

Standard English name	2-[(4-bromo-2,3-dioxobutyl)sulfanyl]-7-(5-O-phosphono-beta-D-ribofuranosyl)-7H-purin-6-amine
Cas No.	99098-32-5
Alias	((2R,3S,4R,5R)-5-(6-amino-2-((4-bromo-2,3-dioxobutyl)thio)-7H-purin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
Canonical Smiles	NC1N=C(N=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=1)SCC(=O)C(=O)CBr
MDL No.
Exact Mass	540.96680
Smiles	NC1=C2N([C@H]3[C@@H]([C@@H]([C@@H](COP(O)(O)=O)O3)O)O)C=NC2=NC(SCC(C(CBr)=O)=O)=N1

Security information

Character
Storage Condition
Melting Point
Boiling Point	887.7°C at 760 mmHg
Flash Point
Chemical Stability
Density	2.3g/cm3
Vapor Pressure
GHS
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Dangerous Goods
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UN No.
Feature
Useage
Inchi	InChI=1S/C14H17BrN5O9PS/c15-1-5(21)6(22)3-31-14-18-11(16)8-12(19-14)17-4-20(8)13-10(24)9(23)7(29-13)2-28-30(25,26)27/h4,7,9-10,13,23-24H,1-3H2,(H2,16,18,19)(H2,25,26,27)/t7-,9-,10-,13-/m1/s1
InchiKey	JFNRKQUEVPDMBJ-QYVSTXNMSA-N
Remark