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Amcinafal 10mg

CAT: 0628-A19538-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A19538-10Size:10 mg
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CAS Number
3924-70-7

Chemical Information

Amcinafal
CAS Number3924-70-7
PubChem CID10389615
IUPAC Name(1S,2S,4R,8S,9S,11S,12R,13S)-6,6-diethyl-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Molecular FormulaC26H35FO6
Molecular Weight462.5
XLogP3.6
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity954
SMILES
CCC1(O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@]4([C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)F)C)CC
InChI
InChI=1S/C26H35FO6/c1-5-24(6-2)32-21-12-18-17-8-7-15-11-16(29)9-10-22(15,3)25(17,27)19(30)13-23(18,4)26(21,33-24)20(31)14-28/h9-11,17-19,21,28,30H,5-8,12-14H2,1-4H3/t17-,18-,19-,21+,22-,23-,25-,26+/m0/s1
InChIKey
NSZFBGIRFCHKOE-LFZVSNMSSA-N
Chemical Structure
2D Structure
2D structure of Amcinafal
CAS: 3924-70-7
CID: 10389615
Formula: C26H35FO6
MW: 462.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass462.24176699
Monoisotopic Mass462.24176699
Topological Polar Surface Area93.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity954
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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