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Lactal Hexaacetate

CAT: 0572-TRC-L112500-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L112500-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51450-24-9
Hazard Statement
No Data Available
Smiles
CC(=O)OC[C@H]1OC=C[C@@H](OC(=O)C)[C@@H]1O[C@@H]2O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C
Molecular Formula
C24 H32 O15
Molecular Weight
560.5
InChI
InChI=1S/C24H32O15/c1-11(25)32-9-18-20(17(7-8-31-18)34-13(3)27)39-24-23(37-16(6)30)22(36-15(5)29)21(35-14(4)28)19(38-24)10-33-12(2)26/h7-8,17-24H,9-10H2,1-6H3/t17-,18-,19-,20+,21+,22+,23-,24+/m1/s1
Additionnal Information
IUPAC name: [(2R,3S,4R)-4-acetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Lactal Hexaacetate
CAS Number51450-24-9
PubChem CID2734746
IUPAC Name[(2R,3S,4R)-4-acetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
Molecular FormulaC24H32O15
Molecular Weight560.5
XLogP-0.2
Topological Polar Surface Area185
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count15
Rotatable Bond Count16
Heavy Atom Count39
Formal Charge0
Complexity959
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H](C=CO1)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C24H32O15/c1-11(25)32-9-18-20(17(7-8-31-18)34-13(3)27)39-24-23(37-16(6)30)22(36-15(5)29)21(35-14(4)28)19(38-24)10-33-12(2)26/h7-8,17-24H,9-10H2,1-6H3/t17-,18-,19-,20+,21+,22+,23-,24+/m1/s1
InChIKey
RCDAESHZJBZWAW-AXHDHDPASA-N
Chemical Structure
2D Structure
2D structure of Lactal Hexaacetate
CAS: 51450-24-9
CID: 2734746
Formula: C24H32O15
MW: 560.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight560.5
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count15
Rotatable Bond Count16
Exact Mass560.17412031
Monoisotopic Mass560.17412031
Topological Polar Surface Area185 Ų
Heavy Atom Count39
Formal Charge0
Complexity959
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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