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5,6-O-Isopropylidene-L-ascorbic acid

CAT: 0013-GTR19245880-01Size: 5 gDry Ice: NoHazardous: No
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Description
5,6-O-Isopropylidene-L-ascorbic acid (L-Ascorbic acid 5,6-acetonide) is an organic compound that serves as a derivative of L-ascorbic acid (vitamin C), which is known for its antioxidant properties.
CAS Number
15042-01-0
Field of Research
Pharmacology & Drug Discovery
Smiles
OC ([C@@] (O1) ([H]) [C@]2 ([H]) COC (C) (O2) C) =C (O) C1=O
Molecular Formula
C9H12O6
Molecular Weight
216.188
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

L-Ascorbic acid, 5,6-O-(1-methylethylidene)-

5,6-Isopropylidene-L-ascorbic acid is a ketal.

CAS Number15042-01-0
PubChem CID54691418
IUPAC Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one
Molecular FormulaC9H12O6
Molecular Weight216.19
XLogP-0.3
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity331
SMILES
CC1(OC[C@H](O1)[C@@H]2C(=C(C(=O)O2)O)O)C
InChI
InChI=1S/C9H12O6/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h4,7,10-11H,3H2,1-2H3/t4-,7+/m0/s1
InChIKey
POXUQBFHDHCZAD-MHTLYPKNSA-N
Chemical Structure
2D Structure
2D structure of L-Ascorbic acid, 5,6-O-(1-methylethylidene)-
CAS: 15042-01-0
CID: 54691418
Formula: C9H12O6
MW: 216.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.19
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass216.06338810
Monoisotopic Mass216.06338810
Topological Polar Surface Area85.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity331
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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