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Laninamivir

CAT: 0024-sc-488700ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-488700ASize:5 mg
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CAS Number
203120-17-6

Chemical Information

Laninamivir

Laninamivir is a member of acetamides.

CAS Number203120-17-6
PubChem CID502272
IUPAC Name(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
Molecular FormulaC13H22N4O7
Molecular Weight346.34
XLogP-3.2
Topological Polar Surface Area190
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity532
SMILES
CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)OC)C(=O)O)N=C(N)N
InChI
InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1
InChIKey
QNRRHYPPQFELSF-CNYIRLTGSA-N
Chemical Structure
2D Structure
2D structure of Laninamivir
CAS: 203120-17-6
CID: 502272
Formula: C13H22N4O7
MW: 346.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight346.34
XLogP3-3.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass346.14884905
Monoisotopic Mass346.14884905
Topological Polar Surface Area190 Ų
Heavy Atom Count24
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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