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Resolvin E1 Sodium Salt

CAT: 0024-sc-476790Size: 0.25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-476790Size:0.25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1309610-43-2

Chemical Information

CID 53310058
CAS Number1309610-43-2
PubChem CID53310058
IUPAC Namesodium (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoate
Molecular FormulaC20H29NaO5
Molecular Weight372.4
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count26
Formal Charge0
Complexity494
SMILES
CC[C@H](/C=C/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)[O-])O)O)O.[Na+]
InChI
InChI=1S/C20H30O5.Na/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25;/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25);/q;+1/p-1/b4-3+,9-5-,11-8+,12-6+,13-7-;/t17-,18+,19-;/m1./s1
InChIKey
WUXDCPCRUFHVSO-AANQWZQHSA-M
Chemical Structure
2D Structure
2D structure of CID 53310058
CAS: 1309610-43-2
CID: 53310058
Formula: C20H29NaO5
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass372.19126830
Monoisotopic Mass372.19126830
Topological Polar Surface Area101 Ų
Heavy Atom Count26
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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