rutinose

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:90-74-4

mdl number:mfcd00161473

einecs number:202-014-4

rtecs number:none

brn number:none

pubchem id:none

physical property data

none

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 69.26

2. molar volume (cm³/mol): 196.2

3. isotonic specific volume (90.2k ): 611.3

4. surface tension (dyne/cm): 94.1

5. polarizability (10-24cm3): 27.46

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -4.2

2. number of hydrogen bond donors: 7

3. number of hydrogen bond acceptors: 10

p>

4. number of rotatable chemical bonds: 3

5. number of tautomers:

6. topological molecular polar surface area (tpsa): 169

p>

7. number of heavy atoms: 22

8. surface charge: 0

9. complexity: 368

10. number of isotope atoms : 0

11. determine the number of atomic stereocenters: 10

12. uncertain number of atomic stereocenters: 0

13. determine the chemical bond configuration number of centers: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none