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4-Amino-1-(5-O-benzoyl-β-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one

Catalog No. : NC21084

CAS No. : 1174733-97-1

Product Level :

Brand : NewCan Bio

Molecular Formula : C₁₅H₁₆N₄O₆

Chemical Name : 4-Amino-1-(5-O-benzoyl-β-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one

Molecular Weight : 348.31

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Basic information

Standard English name
Cas No.	1174733-97-1
Alias	((2R,3S,4R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl benzoate
Canonical Smiles	NC1=NC(=O)N(C=N1)[C@@H]1O[C@H](COC(=O)C2C=CC=CC=2)[C@@H](O)[C@H]1O
MDL No.
Exact Mass	348.10699
Smiles	O=C1N([C@H]2[C@@H]([C@@H]([C@@H](COC(C3=CC=CC=C3)=O)O2)O)O)C=NC(N)=N1

Security information

Character
Storage Condition
Melting Point
Boiling Point	585.0±60.0 °C(Predicted)
Flash Point
Chemical Stability
Density	1.67±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
Vapor Pressure
GHS
Signal Word	Warming
Dangerous Goods	GHS07
Hazard Category	H302;H315;H319;H335
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions	P261;P305+P351+P338
Water Solubility
Storage Temp.
Hazardous Decomposition Products
Chirality
Biological Activity
Physicochemical Propertie
Transport Condition
HS Code
UN No.
Feature
Useage
Inchi	InChI=1S/C15H16N4O6/c16-14-17-7-19(15(23)18-14)12-11(21)10(20)9(25-12)6-24-13(22)8-4-2-1-3-5-8/h1-5,7,9-12,20-21H,6H2,(H2,16,18,23)/t9-,10-,11-,12-/m1/s1
InchiKey	OEJRMNMCMINDSB-DDHJBXDOSA-N
Remark