Tetranor-12 (S) -HETE

CAT: 0024-sc-205521ASize: 100 µgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-205521ASize:100 µg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

121842-79-3

Chemical Information

Npc323527

Tetranor 12-HETE is a hydroxy fatty acid.

CAS Number	121842-79-3
PubChem CID	15730832
IUPAC Name	(4Z,6E,8S,10Z)-8-hydroxyhexadeca-4,6,10-trienoic acid
Molecular Formula	C16H26O3
Molecular Weight	266.38
XLogP	3.9
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	11
Heavy Atom Count	19
Formal Charge	0
Complexity	303

SMILES

CCCCC/C=C\C[C@@H](/C=C/C=C\CCC(=O)O)O

InChI

InChI=1S/C16H26O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h6-10,13,15,17H,2-5,11-12,14H2,1H3,(H,18,19)/b8-7-,9-6-,13-10+/t15-/m0/s1

InChIKey

KBOVKDIBOBQLRS-ONCCEEIJSA-N

Chemical Structure

2D Structure

CAS: 121842-79-3

CID: 15730832

Formula: C16H26O3

MW: 266.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	266.38
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	11
Exact Mass	266.18819469
Monoisotopic Mass	266.18819469
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	303
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes