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C3 Ceramide

CAT: 0926-MPA67852-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-MPA67852-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
362678-52-2
Smiles
CCCCCCCCCCCCCC=CC (C (CO) NC (=O) CC) O
Molecular Formula
C21H41NO3
Molecular Weight
355.6 g/mol
Controlled
No

Chemical Information

C3 Ceramide
CAS Number362678-52-2
PubChem CID124524037
IUPAC NameN-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]propanamide
Molecular FormulaC21H41NO3
Molecular Weight355.6
XLogP6
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Heavy Atom Count25
Formal Charge0
Complexity331
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CC)O
InChI
InChI=1S/C21H41NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)19(18-23)22-21(25)4-2/h16-17,19-20,23-24H,3-15,18H2,1-2H3,(H,22,25)/b17-16+/t19-,20+/m0/s1
InChIKey
GRWDUUZCKNDXDD-YIVRLKKSSA-N
Chemical Structure
2D Structure
2D structure of C3 Ceramide
CAS: 362678-52-2
CID: 124524037
Formula: C21H41NO3
MW: 355.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.6
XLogP36
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Exact Mass355.30864417
Monoisotopic Mass355.30864417
Topological Polar Surface Area69.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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