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(2R)-Sorbitan Monolauric Acid Ester

CAT: 0572-TRC-S677000-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-S677000-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1818383-73-1
Synonyms
(2R)-D-Glucitol 1-Dodecanoate; Lauric acid 1-ester with (2R)-D-glucitol; 1-O-Monolauroyl-(2R)-D-sorbitol
Hazard Statement
No Data Available
Smiles
OC[C@@H]([C@H]([C@@H]([C@@H](COC(CCCCCCCCCCC)=O)O)O)O)O
Molecular Formula
C18H36O7
Molecular Weight
364.47
InChI
InChI=1S/C18H36O7/c1-2-3-4-5-6-7-8-9-10-11-16(22)25-13-15(21)18(24)17(23)14(20)12-19/h14-15,17-21,23-24H,2-13H2,1H3/t14-,15+,17+,18+/m0/s1
Additionnal Information
IUPAC name: (2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl dodecanoate
Shipping Conditions
Room Temperature

Chemical Information

Sorbityl 1-laurate
CAS Number1818383-73-1
PubChem CID11516104
IUPAC Name[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] dodecanoate
Molecular FormulaC18H36O7
Molecular Weight364.5
XLogP2.1
Topological Polar Surface Area127
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Heavy Atom Count25
Formal Charge0
Complexity325
SMILES
CCCCCCCCCCCC(=O)OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O
InChI
InChI=1S/C18H36O7/c1-2-3-4-5-6-7-8-9-10-11-16(22)25-13-15(21)18(24)17(23)14(20)12-19/h14-15,17-21,23-24H,2-13H2,1H3/t14-,15+,17+,18+/m0/s1
InChIKey
HYZDYRHKPFPODK-BURFUSLBSA-N
Chemical Structure
2D Structure
2D structure of Sorbityl 1-laurate
CAS: 1818383-73-1
CID: 11516104
Formula: C18H36O7
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP32.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Exact Mass364.24610348
Monoisotopic Mass364.24610348
Topological Polar Surface Area127 Ų
Heavy Atom Count25
Formal Charge0
Complexity325
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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421906(2R) -Sorbitan Monolauric Acid Ester
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