Structural formula
| Business number | 050L |
|---|---|
| Molecular formula | C7H12O6.H2O |
| Molecular weight | 210.18 |
| label |
2,7-Anhydro-β-D-altro-heptulopyranose, Sedoheptulosan |
Numbering system
CAS number:469-90-9
MDL number:MFCD00150523
EINECS number:207-424-7
RTECS number:None
BRN number:None
PubChem number:24899556
Physical property data
1. Character: Undetermined
2. Density (g/ m3,25/4℃): Undetermined
3. Relative vapor density (g/cm3,AIR=1): Undetermined
4. Melting point (ºC):101-102
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash Point (ºF): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
Molar refractive index:39.83
2、 Molar volume（m 3/mol）：
3, Isotonic specific volume ( 90.2K):342.5
4、 Surface tension（dyne /cm)：96.3
5、 Polarizability(10 -24cm3）：15.79
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 5
3. Number of hydrogen bond acceptors: 7
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 100
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 209
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 5
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: 2
Properties and stability
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.
Synthesis method
None yet
Purpose
None yet
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5、 Polarizability(10 -24cm3）：15.79
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 5
3. Number of hydrogen bond acceptors: 7
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 100
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 209
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 5
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: 2
Properties and stability
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.
Synthesis method
None yet
Purpose
None yet
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