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L-Iditol Hexaacetate

CAT: 0572-TRC-I175030-200MGSize: 200 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I175030-200MGSize:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13443-46-4
Hazard Statement
No Data Available
Smiles
CC(=O)OC[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](COC(=O)C)OC(=O)C
Molecular Formula
C18 H26 O12
Molecular Weight
434.39
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+/m0/s1
Additionnal Information
IUPAC name: [(2S,3R,4R,5S)-2,3,4,5,6-pentaacetyloxyhexyl] acetate
Shipping Conditions
Room Temperature

Chemical Information

L-Iditol hexaacetate
CAS Number13443-46-4
PubChem CID13393019
IUPAC Name[(2S,3R,4R,5S)-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+/m0/s1
InChIKey
NJVBTKVPPOFGAT-WNRNVDISSA-N
Chemical Structure
2D Structure
2D structure of L-Iditol hexaacetate
CAS: 13443-46-4
CID: 13393019
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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