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Glyceryl Ascorbate

CAT: 0127-OR1078558-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1078558-01Size:5 g
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CAS Number
1120360-13-5
Synonyms
2-O- (2,3-Dihydroxypropyl) -L-ascorbic Acid
Purity
>95.0%
Smiles
C (C (COC1=C (C (OC1=O) C (CO) O) O) O) O

Chemical Information

2-O-(2,3-Dihydroxypropyl)-L-ascorbic acid
CAS Number1120360-13-5
PubChem CID67266814
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one
Molecular FormulaC9H14O8
Molecular Weight250.20
XLogP-2.6
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity312
SMILES
C([C@@H]([C@@H]1C(=C(C(=O)O1)OCC(CO)O)O)O)O
InChI
InChI=1S/C9H14O8/c10-1-4(12)3-16-8-6(14)7(5(13)2-11)17-9(8)15/h4-5,7,10-14H,1-3H2/t4?,5-,7+/m0/s1
InChIKey
KQWQJCDIYBPYNT-ACFLWUFDSA-N
Chemical Structure
2D Structure
2D structure of 2-O-(2,3-Dihydroxypropyl)-L-ascorbic acid
CAS: 1120360-13-5
CID: 67266814
Formula: C9H14O8
MW: 250.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight250.20
XLogP3-2.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass250.06886740
Monoisotopic Mass250.06886740
Topological Polar Surface Area137 Ų
Heavy Atom Count17
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes