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Sorbitol
CAS: 50-70-4 | C6H14O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50-70-4
Molecular Formula:
C6H14O6
Molecular Weight:
182.172 g/mol
Names and Synonyms:
Sorbitol
Plastilys
D-SORB 88
A 5178
Sorbitol C
Sorbitol Ueno 20M
LTS-P G 3
Brix 70
Foodol 70
Sorbit KK Powder 50M
Merisorb 200
Meritol 128
Sorbit KK
FP 100M
Sorbitol FP 100M
Meritol 121
Parteck SI 450
Parteck SI 400
Parteck SI 200
Neosorb 70/02B
Neosorb 71/02SB
LTS P 50M
Sorbidex S 16603
Sorbidex 200
Sorbierite
Sorpart
Sorbitol 70W
Parteck SI 150
Sorbidex NC 16205
Sorbitol SP
Neosorb 70/02SB
Sorbitol Kao
CSorbidex 16100
C*Sorbidex 16100
Sorbit D
Sorbit LTSP
LTS-P 20M
Neosorb 70/20
Sorbidex S 16601
P 60W
Cerestar P 16616
7B5697N
D-Sorbit 50M
C*Sorbidex P 16616
Sorbitol FK
Sorbitol S
Sorbit DP
NSC 25944
Sorbit W-Powder 50
Sorbit DP 50
Sorbogem 712
Sorbit D-Powder
Neosorb P 60W
E 420
Sorbilax
Resulax
Sorbitur
Cystosol
Kyowa Powder 50M
Sorbit Kyowa Powder 50M
Sorbit T 70
Sorbidex P 16616
C*Sorbidex
Neosorb 70/02
Sorbit W-Powder
Neosorb P 20/60
Glucarine
Glucarine (sorbitol syrup)
Sorbitol F
Sorbitol FP
Foodol D 70
Sorbite
Sorbit WP
Sorbit L 70
Sorbit D 70
Sionit K
Neosorb P 60
Sorbit S
(-)-Sorbitol
Sorbit W 70
Karion instant
Neosorb 20/60DC
Glucitol
Karion (carbohydrate)
Neosorb 70/70
Karion
Esasorb
Siosan
Sionite
D-(-)-Sorbitol
Nivitin
Sorbilande
Sionit
Cholaxine
Sorbostyl
Sorbo
Sorbex S
Sorbitol syrup C
Sorbex X
Sorbex R
Sorbex Rp
Sorbex M
Neosorb
L-Gulitol
D-Sorbitol
D-Sorbol
Sorbol
Sorbit
Sionon
Diakarmon
Sorbitol
Glucitol, D-
D-Glucitol
Identifiers:
SMILES:
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChI:
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 182.17 g/mol | Legacy Database |
| density | 1.49 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sorbitol None | Legacy Database |
| cas-boiling-point | 295 °C @ Press: 3.5 Torr None | Legacy Database |
| cas-canonical-smile | OCC(O)C(O)C(O)C(O)CO None | Legacy Database |
| cas-density | 1.489 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=FBPFZTCFMRRESA-JGWLITMVSA-N None | Legacy Database |
| cas-melting-point | 110-112 °C None | Legacy Database |
| cas-name | Sorbitol None | Legacy Database |
| wikipedia-name | Sorbitol None | Legacy Database |
| LogP | -3.5854000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 182.172 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 182.079038168 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 12 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 6 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 121.38000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.198800000000006 | RDKit |
