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Allantoin ascorbate

CAT: 0013-GTR19195720-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195720-01Size:25 mg
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Description
Allantoin ascorbate
CAS Number
57448-83-6
Field of Research
Pharmacology & Drug Discovery
Smiles
[C@@H] (CO) (O) [C@@]1 (C (O) =C (O) C (=O) O1) [H].N (C (N) =O) C1NC (=O) NC1=O
Molecular Formula
C10H14N4O9
Molecular Weight
334.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Allantoin Ascorbate
CAS Number57448-83-6
PubChem CID67732897
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2,5-dioxoimidazolidin-4-yl)urea
Molecular FormulaC10H14N4O9
Molecular Weight334.24
Topological Polar Surface Area221
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity458
SMILES
C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O.C1(C(=O)NC(=O)N1)NC(=O)N
InChI
InChI=1S/C6H8O6.C4H6N4O3/c7-1-2(8)5-3(9)4(10)6(11)12-5;5-3(10)6-1-2(9)8-4(11)7-1/h2,5,7-10H,1H2;1H,(H3,5,6,10)(H2,7,8,9,11)/t2-,5+;/m0./s1
InChIKey
BMZVXYKKNCVBBF-RXSVEWSESA-N
Chemical Structure
2D Structure
2D structure of Allantoin Ascorbate
CAS: 57448-83-6
CID: 67732897
Formula: C10H14N4O9
MW: 334.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.24
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass334.07607804
Monoisotopic Mass334.07607804
Topological Polar Surface Area221 Ų
Heavy Atom Count23
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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