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Hepronicate

CAT: 0926-HAA23781-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-HAA23781-04Size:50 mg
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CAS Number
7237-81-2
MDL Number
MFCD00868268
Smiles
CCCCCCC (COC (=O) C1=CN=CC=C1) (COC (=O) C2=CN=CC=C2) COC (=O) C3=CN=CC=C3
Molecular Formula
C28H31N3O6
Molecular Weight
505.6 g/mol
Controlled
No

Chemical Information

Hepronicate

Hepronicate is an organic molecular entity.

CAS Number7237-81-2
PubChem CID3588
IUPAC Name2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate
Molecular FormulaC28H31N3O6
Molecular Weight505.6
XLogP4.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Heavy Atom Count37
Formal Charge0
Complexity634
SMILES
CCCCCCC(COC(=O)C1=CN=CC=C1)(COC(=O)C2=CN=CC=C2)COC(=O)C3=CN=CC=C3
InChI
InChI=1S/C28H31N3O6/c1-2-3-4-5-12-28(19-35-25(32)22-9-6-13-29-16-22,20-36-26(33)23-10-7-14-30-17-23)21-37-27(34)24-11-8-15-31-18-24/h6-11,13-18H,2-5,12,19-21H2,1H3
InChIKey
GUIBJJJLGSYNKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hepronicate
CAS: 7237-81-2
CID: 3588
Formula: C28H31N3O6
MW: 505.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.6
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Exact Mass505.22128572
Monoisotopic Mass505.22128572
Topological Polar Surface Area118 Ų
Heavy Atom Count37
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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A19781-2Hepronicate 2mg
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A19781-25Hepronicate 25mg
A19781-10Hepronicate 10mg
A19781-5Hepronicate 5mg
A19781-50Hepronicate 50mg
A19781-1Hepronicate 1mg

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