Product Name

  • Name

    Harpagide

  • EINECS 230-050-0
  • CAS No. 6926-08-5
  • Article Data9
  • CAS DataBase
  • Density 1.66 g/cm3
  • Solubility
  • Melting Point
  • Formula C15H24O10
  • Boiling Point 637.1 °C at 760 mmHg
  • Molecular Weight 364.35
  • Flash Point 339.1 °C
  • Transport Information
  • Appearance
  • Safety 24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 6926-08-5 (Harpagide)
  • Hazard Symbols
  • Synonyms Glucopyranoside,1b,4a,5,6,7,7aa-hexahydro-4aa,5a,7a-trihydroxy-7-methylcyclopenta[c]pyran-1-yl, b-D- (8CI);Harpagide (7CI);b-D-Glucopyranoside,1,4a,5,6,7,7a-hexahydro-4a,5,7-trihydroxy-7-methylcyclopenta[c]pyran-1-yl,[1S-(1a,4aa,5a,7a,7aa)]-;
  • PSA 169.30000
  • LogP -3.11500

Harpagide Specification

This chemical is called Harpagide, and its IUPAC name is (1S,4aS,5R,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol. With the molecular formula of C15H24O10, its molecular weight is 364.35. The CAS registry number of this chemical is 6926-08-5.

Other characteristics of the Harpagide can be summarised as followings: (1)ACD/LogP: -3.69; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.69; (4)ACD/LogD (pH 7.4): -3.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 92.3 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 81.09 cm3; (15)Molar Volume: 219 cm3; (16)Polarizability: 32.14×10-24cm3; (17)Surface Tension: 96.4 dyne/cm; (18)Density: 1.66 g/cm3; (19)Flash Point: 339.1 °C; (20)Enthalpy of Vaporization: 107.84 kJ/mol; (21)Boiling Point: 637.1 °C at 760 mmHg; (22)Vapour Pressure: 6.51E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O1\C=C/C3(O)C(C1OC2OC(C(O)C(O)C2O)CO)C(O)(C)CC3O
2.InChI: InChI=1/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3
3.InChIKey: XUWSHXDEJOOIND-UHFFFAOYAE
4.Std. InChI: InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3
5.Std. InChIKey: XUWSHXDEJOOIND-UHFFFAOYSA-N

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