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D-Galactal Triacetate

CAT: 0572-TRC-G152000-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-G152000-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4098-06-0
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CC(=O)OC[C@H]1OC=C[C@@H](OC(=O)C)[C@H]1OC(=O)C
Molecular Formula
C12 H16 O7
Molecular Weight
272.25
InChI
InChI=1S/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12-/m1/s1
Additionnal Information
IUPAC name: [(2R,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,6-anhydro-5-deoxy-D-arabino-hex-5-enitol triacetate
CAS Number4098-06-0
PubChem CID640125
IUPAC Name[(2R,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
Molecular FormulaC12H16O7
Molecular Weight272.25
XLogP0.2
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity388
SMILES
CC(=O)OC[C@@H]1[C@@H]([C@@H](C=CO1)OC(=O)C)OC(=O)C
InChI
InChI=1S/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12-/m1/s1
InChIKey
LLPWGHLVUPBSLP-IJLUTSLNSA-N
Chemical Structure
2D Structure
2D structure of 2,6-anhydro-5-deoxy-D-arabino-hex-5-enitol triacetate
CAS: 4098-06-0
CID: 640125
Formula: C12H16O7
MW: 272.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.25
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass272.08960285
Monoisotopic Mass272.08960285
Topological Polar Surface Area88.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity388
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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