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Zanamivir Azide Methyl Ester

CAT: 0572-TRC-Z148030-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-Z148030-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
152178-79-5
Synonyms
5-(Acetylamino)-2,6-anhydro-4-azido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic Acid Methyl Ester;
Hazard Statement
Harmful if swallowed.
Smiles
CC(=O)N[C@@H]1[C@@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)OC)N=[N+]=[N-]
Molecular Formula
C12H18N4O7
Molecular Weight
330.29
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Zanamivir Azide Methyl Ester
CAS Number152178-79-5
PubChem CID71753012
IUPAC Namemethyl (2R,3R,4R)-3-acetamido-4-azido-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate
Molecular FormulaC12H18N4O7
Molecular Weight330.29
XLogP-0.4
Topological Polar Surface Area140
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity532
SMILES
CC(=O)N[C@@H]1[C@@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)OC)N=[N+]=[N-]
InChI
InChI=1S/C12H18N4O7/c1-5(18)14-9-6(15-16-13)3-8(12(21)22-2)23-11(9)10(20)7(19)4-17/h3,6-7,9-11,17,19-20H,4H2,1-2H3,(H,14,18)/t6-,7-,9-,10-,11-/m1/s1
InChIKey
MMLUEZXBKJUPII-JBSYKWBFSA-N
Chemical Structure
2D Structure
2D structure of Zanamivir Azide Methyl Ester
CAS: 152178-79-5
CID: 71753012
Formula: C12H18N4O7
MW: 330.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.29
XLogP3-0.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass330.11754893
Monoisotopic Mass330.11754893
Topological Polar Surface Area140 Ų
Heavy Atom Count23
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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