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Resolvin D2 Methyl Ester

CAT: 0024-sc-477312ASize: 25 µgDry Ice: NoHazardous: No
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CAT#:0024-sc-477312ASize:25 µg
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CAS Number
810668-53-2

Chemical Information

Resolvin D2 Methyl Ester
CAS Number810668-53-2
PubChem CID101354717
IUPAC Namemethyl (4Z,7S,8E,10Z,12E,14E,16R,17S,19Z)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoate
Molecular FormulaC23H34O5
Molecular Weight390.5
XLogP3.4
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count15
Heavy Atom Count28
Formal Charge0
Complexity570
SMILES
CC/C=C\C[C@@H]([C@@H](/C=C/C=C/C=C\C=C\[C@H](C/C=C\CCC(=O)OC)O)O)O
InChI
InChI=1S/C23H34O5/c1-3-4-10-17-21(25)22(26)18-13-8-6-5-7-11-15-20(24)16-12-9-14-19-23(27)28-2/h4-13,15,18,20-22,24-26H,3,14,16-17,19H2,1-2H3/b7-5-,8-6+,10-4-,12-9-,15-11+,18-13+/t20-,21+,22-/m1/s1
InChIKey
MQCKXANXFRGFND-CGIARSFXSA-N
Chemical Structure
2D Structure
2D structure of Resolvin D2 Methyl Ester
CAS: 810668-53-2
CID: 101354717
Formula: C23H34O5
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count15
Exact Mass390.24062418
Monoisotopic Mass390.24062418
Topological Polar Surface Area87 Ų
Heavy Atom Count28
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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