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Mercamine ascorbate

CAT: 0931-T33293-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T33293-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16031-82-6
Target
Others
Related Pathways
Others
Bioactivity
Mercamine ascorbate is a bioactive chemical.
Smiles
[C@@H](CO)(O)[C@@]1(C(O)=C(O)C(=O)O1)[H].C(CS)N
Molecular Formula
C8H15NO6S
Molecular Weight
253.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mercamine ascorbate
CAS Number16031-82-6
PubChem CID54676859
IUPAC Name2-aminoethanethiol;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one
Molecular FormulaC8H15NO6S
Molecular Weight253.28
Topological Polar Surface Area134
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity242
SMILES
C(CS)N.C(C(C1C(=C(C(=O)O1)O)O)O)O
InChI
InChI=1S/C6H8O6.C2H7NS/c7-1-2(8)5-3(9)4(10)6(11)12-5;3-1-2-4/h2,5,7-10H,1H2;4H,1-3H2
InChIKey
NQEDADDMLOPGQH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mercamine ascorbate
CAS: 16031-82-6
CID: 54676859
Formula: C8H15NO6S
MW: 253.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight253.28
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass253.06200837
Monoisotopic Mass253.06200837
Topological Polar Surface Area134 Ų
Heavy Atom Count16
Formal Charge0
Complexity242
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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