Product Name

  • Name

    2,3,4-Tri-O-benzoyl-L-rhamnopyranose

  • EINECS
  • CAS No. 7494-44-2
  • Density 1.35 g/cm3
  • Solubility
  • Melting Point 205-210°C
  • Formula C27H24O8
  • Boiling Point 637.3 °C at 760 mmHg
  • Molecular Weight 476.483
  • Flash Point 213.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 7494-44-2 (2,3,4-Tri-O-benzoyl-L-rhamnopyranose)
  • Hazard Symbols
  • Synonyms NSC 400292;(4,5-Dibenzoyloxy-6-hydroxy-2-methyloxan-3-yl) benzoate;2,3,4-Tri-O-benzoyl-6-deoxyhexopyranose;
  • PSA 108.36000
  • LogP 3.40030

Mannopyranose, 6-deoxy-, 2,3,4-tribenzoate Specification

The Mannopyranose, 6-deoxy-, 2,3,4-tribenzoate, with the CAS registry number 7494-44-2, is also known as 2,3,4-Tri-O-benzoyl-6-deoxyhexopyranose. This chemical's molecular formula is C27H24O8 and molecular weight is 476.47. What's more, its systematic name is (4,5-dibenzoyloxy-6-hydroxy-2-methyloxan-3-yl) benzoate. 

Physical properties of Mannopyranose, 6-deoxy-, 2,3,4-tribenzoate are: (1)ACD/LogP: 6.98; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 8; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 97.36 Å2; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 124.54 cm3; (9)Molar Volume: 352.4 cm3; (10)Polarizability: 49.37×10-24cm3; (11)Surface Tension: 61.2 dyne/cm; (12)Density: 1.35 g/cm3; (13)Flash Point: 213.1 °C; (14)Enthalpy of Vaporization: 98.94 kJ/mol; (15)Boiling Point: 637.3 °C at 760 mmHg; (16)Vapour Pressure: 4.09E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1C(C(C(C(O1)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
(2)InChI: InChI=1S/C27H24O8/c1-17-21(33-24(28)18-11-5-2-6-12-18)22(34-25(29)19-13-7-3-8-14-19)23(27(31)32-17)35-26(30)20-15-9-4-10-16-20/h2-17,21-23,27,31H,1H3
(3)InChIKey: UTEZHORWKBBBND-UHFFFAOYSA-N

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