Structural formula
| Business number | 022P |
|---|---|
| Molecular formula | C12H22O10 |
| Molecular weight | 326.30 |
| label |
rue sugar, 6-O-(6-deoxy-α-L-oligopyranyl)-D-glucose, 6-O-(α-L-Rhamnopyranosyl)-D-glucose, 6-O-(6-Deoxy-α-L-mannopyranosyl)-D-glucose |
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
