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D-Sorbitol hexaacetate

CAT: 0804-HY-W558950-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W558950-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
D-Sorbitol hexaacetate is a kind of biochemical reagent.
CAS Number
7208-47-1
UNSPSC
12352200
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Assay Protocol
https://www.medchemexpress.com/d-sorbitol-hexaacetate.html
Smiles
CC(OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)COC(C)=O)=O
Molecular Formula
C18H26O12
Molecular Weight
434.39
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Sorbitol hexaacetate
CAS Number7208-47-1
PubChem CID9802952
IUPAC Name[(2S,3R,4R,5R)-2,3,4,5,6-pentaacetyloxyhexyl] acetate
Molecular FormulaC18H26O12
Molecular Weight434.4
XLogP-0.2
Topological Polar Surface Area158
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count17
Heavy Atom Count30
Formal Charge0
Complexity600
SMILES
CC(=O)OC[C@H]([C@H]([C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C18H26O12/c1-9(19)25-7-15(27-11(3)21)17(29-13(5)23)18(30-14(6)24)16(28-12(4)22)8-26-10(2)20/h15-18H,7-8H2,1-6H3/t15-,16+,17-,18-/m1/s1
InChIKey
NJVBTKVPPOFGAT-XMTFNYHQSA-N
Chemical Structure
2D Structure
2D structure of Sorbitol hexaacetate
CAS: 7208-47-1
CID: 9802952
Formula: C18H26O12
MW: 434.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.4
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count17
Exact Mass434.14242626
Monoisotopic Mass434.14242626
Topological Polar Surface Area158 Ų
Heavy Atom Count30
Formal Charge0
Complexity600
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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