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IG8

CAT: 0931-TYD-04107-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-04107-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2132345-14-1
Target
Others
Related Pathways
Others
Bioactivity
IG8 is a bioactive ceramide.
Smiles
O(C)C1=C2C(NC(C(N[C@H](C(NCCCCCCCCCCCCC)=O)[C@@H](C)O)=O)=C2)=CC=C1
Molecular Formula
C27H43N3O4
Molecular Weight
473.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[(2S,3R)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CAS Number2132345-14-1
PubChem CID130405459
IUPAC NameN-[(2S,3R)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Molecular FormulaC27H43N3O4
Molecular Weight473.6
XLogP6.9
Topological Polar Surface Area103
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Heavy Atom Count34
Formal Charge0
Complexity588
SMILES
CCCCCCCCCCCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)C1=CC2=C(N1)C=CC=C2OC
InChI
InChI=1S/C27H43N3O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-28-27(33)25(20(2)31)30-26(32)23-19-21-22(29-23)16-15-17-24(21)34-3/h15-17,19-20,25,29,31H,4-14,18H2,1-3H3,(H,28,33)(H,30,32)/t20-,25+/m1/s1
InChIKey
XLSUQVXEFOTUCL-NLFFAJNJSA-N
Chemical Structure
2D Structure
2D structure of N-[(2S,3R)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CAS: 2132345-14-1
CID: 130405459
Formula: C27H43N3O4
MW: 473.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.6
XLogP36.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Exact Mass473.32535686
Monoisotopic Mass473.32535686
Topological Polar Surface Area103 Ų
Heavy Atom Count34
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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