structural formula
| business number | 03k5 |
|---|---|
| molecular formula | c10h22o7 |
| molecular weight | 254.28 |
| label |
dipentaerythritol, dipentaerythritol, di(poly)pentaerythritol, 2(pentaerythritol), linear compound |
numbering system
cas number:126-58-9
mdl number:mfcd00004691
einecs number:204-794-1
rtecs number:none
brn number:none
pubchem number:24893600
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 59.26
2. molar volume (m3/mol）：185.0
3. isotonic ratio (90.2k)：540.2
4. surface tension (dyne/cm):72.5
5. polarizability（10-24cm3):23.49
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): -3.8
2. number of hydrogen bond donors: 6
3. number of hydrogen bond acceptors: 7
4. number of rotatable chemical bonds: 10
5. number of tautomers: none
6. topological molecule polar surface area 131
7. number of heavy atoms: 17
8. surface charge: 0
9. complexity: 153
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 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
