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Technical details about Mosedipimod, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Gtpl9771, Schembl6513431
Molecular Formula
C39H70O6
Molecular Weight
635.0  g/mol
InChI Key
GAKUNXBDVGLOFS-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1-acetyloxy-3-hexadecanoyloxypropan-2-yl) octadeca-9,12-dienoate
2.1.2 InChI
InChI=1S/C39H70O6/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-39(42)45-37(34-43-36(3)40)35-44-38(41)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h12,14,18-19,37H,4-11,13,15-17,20-35H2,1-3H3
2.1.3 InChI Key
GAKUNXBDVGLOFS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)CCCCCCCC=CCC=CCCCCC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Gtpl9771

2. Schembl6513431

2.3 Create Date
2011-12-04
3 Chemical and Physical Properties
Molecular Weight 635.0 g/mol
Molecular Formula C39H70O6
XLogP314.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count36
Exact Mass634.51723995 g/mol
Monoisotopic Mass634.51723995 g/mol
Topological Polar Surface Area78.9 Ų
Heavy Atom Count45
Formal Charge0
Complexity744
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently Bonded Unit Count1
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