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4-Selenazolecarboxamide,2-b-D-ribofuranosyl-

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Name

4-Selenazolecarboxamide,2-b-D-ribofuranosyl-

EINECS N/A
CAS No. 83705-13-9 Density N/A
PSA 125.90000 LogP -1.90820
Solubility N/A Melting Point N/A
Formula C9H12N2O5Se Boiling Point 688 °C at 760 mmHg
Molecular Weight 307.165 Flash Point 369.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 83705-13-9 (Selenazofurin) Hazard Symbols N/A
Synonyms

CI935;NSC 340847;PD 111232;Selenazofurin;

 

4-Selenazolecarboxamide,2-b-D-ribofuranosyl- Specification

The CAS register number of 4-Selenazolecarboxamide,2-b-D-ribofuranosyl- is 83705-13-9. It also can be called as Selenazofurin and the systematic name about this chemical is (1R)-1,4-anhydro-1-(4-carbamoyl-1,3-selenazol-2-yl)-D-ribitol. The molecular formula about this chemical is C9H12N2O5Se and the molecular weight is 307.16.

Physical properties about 4-Selenazolecarboxamide,2-b-D-ribofuranosyl- are: (1)ACD/LogP: -1.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.82; (4)ACD/LogD (pH 7.4): -1.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.44; (8)ACD/KOC (pH 7.4): 2.44; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 70.12 Å2; (13)Flash Point: 369.9 °C; (14)Enthalpy of Vaporization: 105.93 kJ/mol; (15)Boiling Point: 688 °C at 760 mmHg; (16)Vapour Pressure: 7.06E-20 mmHg at 25 °C

Preparation: this chemical can be prepared by methyl 2-b-D-ribofuranosyl-4-selenazolecarboxylate. This reaction will need reagent of NH3(g) and solvent of methanol. The reaction time is 8 hours with reaction temperature of 10 °C. The yield is about 85%.

4-Selenazolecarboxamide,2-b-D-ribofuranosyl- can be prepared by methyl 2-b-D-ribofuranosyl-4-selenazolecarboxylate.

Uses of 4-Selenazolecarboxamide,2-b-D-ribofuranosyl-: it can be used to produce selenazofurin 5'-monophosphate. This reaction will need reagents of phosphoryl chloride, pyridine, water and solvent of acetonitrile. The reaction time is 4 hours with reaction temperature of 0 °C. The yield is about 42%.

4-Selenazolecarboxamide,2-b-D-ribofuranosyl- can be used to produce selenazofurin 5'-monophosphate.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1nc([se]c1)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)CO)N
(2)InChI: InChI=1/C9H12N2O5Se/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1
(3)InChIKey: CKMBACZHCFMPLQ-DBRKOABJBX
(4)Std. InChI: InChI=1S/C9H12N2O5Se/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1
(5)Std. InChIKey: CKMBACZHCFMPLQ-DBRKOABJSA-N

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