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2,6-Di-O-palmitoyl-L-ascorbic acid

CAT: 0013-GTR19245207-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19245207-01Size:100 mg
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Description
2,6-Di-O-palmitoyl-L-ascorbic acid is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
4218-81-9
Field of Research
Pharmacology & Drug Discovery
Smiles
CCCCCCCCCCCCCCCC (=O) OC[C@@H] ([C@@H]1C (=C (C (=O) O1) OC (=O) CCCCCCCCCCCCCCC) O) O
Molecular Formula
C38H68O8
Molecular Weight
652.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ascorbyl Dipalmitate
CAS Number4218-81-9
PubChem CID54722209
IUPAC Name[(2S)-2-[(2R)-4-hexadecanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate
Molecular FormulaC38H68O8
Molecular Weight652.9
XLogP14.1
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count34
Heavy Atom Count46
Formal Charge0
Complexity824
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)OC(=O)CCCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C38H68O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(40)44-31-32(39)36-35(42)37(38(43)46-36)45-34(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,36,39,42H,3-31H2,1-2H3/t32-,36+/m0/s1
InChIKey
TUYRNAGGIJZRNM-LBHUVFDKSA-N
Chemical Structure
2D Structure
2D structure of Ascorbyl Dipalmitate
CAS: 4218-81-9
CID: 54722209
Formula: C38H68O8
MW: 652.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight652.9
XLogP314.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count34
Exact Mass652.49141912
Monoisotopic Mass652.49141912
Topological Polar Surface Area119 Ų
Heavy Atom Count46
Formal Charge0
Complexity824
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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