Product Name

  • Name

    4-methyl-2-oxo-2H-chromen-7-yl 5-thio-beta-D-xylopyranoside

  • EINECS
  • CAS No. 137215-12-4
  • Density 1.529 g/cm3
  • Solubility
  • Melting Point
  • Formula C15H16O6S
  • Boiling Point 567.4 °C at 760 mmHg
  • Molecular Weight 324.354
  • Flash Point 297 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 137215-12-4 (4-methyl-2-oxo-2H-chromen-7-yl 5-thio-beta-D-xylopyranoside)
  • Hazard Symbols
  • Synonyms 4-Methyl-7-(5-thio-?-D-xylopyranosyloxy)-2H-chromen-2-one;4-methyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxy-chromen-2-one;Odiparcil [INN];
  • PSA
  • LogP

Odiparcil Specification

The Odiparcil is an organic compound with the formula C15H16O6S. The IUPAC name of this chemical is 4-methyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one. With the CAS registry number 137215-12-4, it is also named as 4-methyl-2-oxo-2H-chromen-7-yl 5-thio-β-D-xylopyranoside. The product's classification code is Antithrombotic.

Physical properties about Odiparcil are: (1)ACD/LogP: 1.47; (2)#H bond acceptors: 6; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 88.52 Å2; (6)Index of Refraction: 1.684; (7)Molar Refractivity: 80.5 cm3; (8)Molar Volume: 212 cm3; (9)Polarizability: 31.91×10-24cm3; (10)Surface Tension: 76.3 dyne/cm; (11)Density: 1.529 g/cm3; (12)Flash Point: 297 °C; (13)Enthalpy of Vaporization: 89.61 kJ/mol; (14)Boiling Point: 567.4 °C at 760 mmHg; (15)Vapour Pressure: 1.03E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/3Oc2c(ccc(O[C@@H]1SC[C@@H](O)[C@H](O)[C@H]1O)c2)\C(=C\3)C
(2)InChI: InChI=1/C15H16O6S/c1-7-4-12(17)21-11-5-8(2-3-9(7)11)20-15-14(19)13(18)10(16)6-22-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15-/m1/s1
(3)InChIKey: JRHNIQQUVJOPQC-AQNFWKISBF
(4)Std. InChI: InChI=1S/C15H16O6S/c1-7-4-12(17)21-11-5-8(2-3-9(7)11)20-15-14(19)13(18)10(16)6-22-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15-/m1/s1
(5)Std. InChIKey: JRHNIQQUVJOPQC-AQNFWKISSA-N

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