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38934-69-9

Basic Information
CAS No.: 38934-69-9
Name: Methyl-beta-D-ribofuranosyl-1,2,4-triazole-3-carboxylate
Article Data: 9
Molecular Structure:
Molecular Structure of 38934-69-9 (Methyl-beta-D-ribofuranosyl-1,2,4-triazole-3-carboxylate)
Formula: C9H13N3O6
Molecular Weight: 259.219
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;
Density: 1.82g/cm3
Boiling Point: 561.4 °C at 760 mmHg
Flash Point: 293.3 °C
PSA: 126.93000
LogP: -2.32380
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  • Methyl-beta-D-ribofuranosyl-1,2,4-triazole-3-carboxylate

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  • 1H-1,2,4-Triazole-3-carboxylicacid, 1-β-D-ribofuranosyl-, methyl ester cas  38934-69-9

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    1H-1,2,4-Triazole-3-carboxylicacid, 1-β-D-ribofuranosyl-, methyl ester cas 38934-69-9Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by exp

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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