Products for Research Use Only
RegisterLogin

9 (S) -HpOTrE

CAT: 0024-sc-205197ASize: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-205197ASize:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
111004-08-1

Chemical Information

(9S,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatrienoic acid

(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid is a (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid which has S-configuration at the chiral centre. It is a conjugate acid of a (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate. It is an enantiomer of a (9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid.

CAS Number111004-08-1
PubChem CID6450029
IUPAC Name(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
Molecular FormulaC18H30O4
Molecular Weight310.4
XLogP4.7
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count22
Formal Charge0
Complexity345
SMILES
CC/C=C\C/C=C\C=C\[C@H](CCCCCCCC(=O)O)OO
InChI
InChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6-,14-11+/t17-/m1/s1
InChIKey
RWKJTIHNYSIIHW-MEBVTJQTSA-N
Chemical Structure
2D Structure
2D structure of (9S,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatrienoic acid
CAS: 111004-08-1
CID: 6450029
Formula: C18H30O4
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass310.21440943
Monoisotopic Mass310.21440943
Topological Polar Surface Area66.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity345
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-20500813 (S) -HpOTrE
sc-205008A13 (S) -HpOTrE
sc-2051969 (S) -HpODE
sc-205196A9 (S) -HpODE
sc-2051939 (S) -HETE
sc-205195A9 (S) -HOTrE
sc-2051949 (S) -HODE
sc-205194A9 (S) -HODE
sc-2051959 (S) -HOTrE
sc-205193A9 (S) -HETE

Alternative Products

CatalogName
MBS578519013(S)-HpOTrE
GTR1919065913 (S) -HpOTrE
GTR19190656-0113 (S) -HpOTrE (γ)
HY-131310-019 (S) -HpOTrE
MBS57986629(S)-HpOTrE
MBS578519113(S)-HpOTrE(gamma)

Popular Products