1H-1,2,4-Triazole-3-carboxylicacid, 1-β-D-ribofuranosyl-, methyl ester supplier

Name
Methyl-beta-D-ribofuranosyl-1,2,4-triazole-3-carboxylate
EINECS
CAS No. 38934-69-9
Article Data9
CAS DataBase
Density 1.82g/cm³
Solubility
Melting Point
Formula C₉H₁₃N₃O₆
Boiling Point 561.4 °C at 760 mmHg
Molecular Weight 259.219
Flash Point 293.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-b-D-Ribofuranosyl-1,2,4-triazole-3-carboxylicacid methyl ester;Methyl 1-(b-D-ribofuranosyl)-1,2,4-triazole-3-carboxylate;NSC 360639;
PSA 126.93000
LogP -2.32380

1H-1,2,4-Triazole-3-carboxylicacid, 1-β-D-ribofuranosyl-, methyl ester Specification

The 1H-1,2,4-Triazole-3-carboxylicacid, 1-β-D-ribofuranosyl-, methyl ester, with CAS registry number 38934-69-9, has the systematic name of methyl 1-pentofuranosyl-1H-1,2,4-triazole-3-carboxylate. Besides this, it is also called Methyl-beta-D-ribofuranosyl-1,2,4-triazole-3-carboxylate. And the chemical formula of this chemical is C₉H₁₃N₃O₆.

Physical properties of 1H-1,2,4-Triazole-3-carboxylicacid, 1-β-D-ribofuranosyl-, methyl ester: (1)ACD/LogP: -1.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 9; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 93.93 Å²; (7)Index of Refraction: 1.701; (8)Molar Refractivity: 54.98 cm³; (9)Molar Volume: 142 cm³; (10)Polarizability: 21.79×10^-24cm³; (11)Surface Tension: 76 dyne/cm; (12)Density: 1.82 g/cm³; (13)Flash Point: 293.3 °C; (14)Enthalpy of Vaporization: 88.82 kJ/mol; (15)Boiling Point: 561.4 °C at 760 mmHg; (16)Vapour Pressure: 1.94E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ncn(n1)C2OC(C(O)C2O)CO
(2)InChI: InChI=1/C9H13N3O6/c1-17-9(16)7-10-3-12(11-7)8-6(15)5(14)4(2-13)18-8/h3-6,8,13-15H,2H2,1H3
(3)InChIKey: RFJYLFZDYHCYNF-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H13N3O6/c1-17-9(16)7-10-3-12(11-7)8-6(15)5(14)4(2-13)18-8/h3-6,8,13-15H,2H2,1H3
(5)Std. InChIKey: RFJYLFZDYHCYNF-UHFFFAOYSA-N

Product Name

Methyl-beta-D-ribofuranosyl-1,2,4-triazole-3-carboxylate

1H-1,2,4-Triazole-3-carboxylicacid, 1-β-D-ribofuranosyl-, methyl ester Specification

Related Products

Hot Products