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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.

External Resources

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

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