(±) 5,6-DHET lactone

CAT: 0024-sc-221047ASize: 50 µgDry Ice: NoHazardous: No

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CAT#:0024-sc-221047ASize:50 µg

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CAS Number

213126-92-2

Chemical Information

6-[(3Z,6Z,9Z)-1-hydroxypentadeca-3,6,9-trienyl]oxan-2-one

5,6-Dihydroxy-8Z,11Z,14Z-eicosatrienoic acid, 1,5-lactone is a long-chain fatty alcohol.

CAS Number	213126-92-2
PubChem CID	71684443
IUPAC Name	6-[(3Z,6Z,9Z)-1-hydroxypentadeca-3,6,9-trienyl]oxan-2-one
Molecular Formula	C20H32O3
Molecular Weight	320.5
XLogP	5.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	11
Heavy Atom Count	23
Formal Charge	0
Complexity	396

SMILES

CCCCC/C=C\C/C=C\C/C=C\CC(C1CCCC(=O)O1)O

InChI

InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19-16-14-17-20(22)23-19/h6-7,9-10,12-13,18-19,21H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12-

InChIKey

FVXUUVSFGPLNBJ-QNEBEIHSSA-N

Chemical Structure

2D Structure

CAS: 213126-92-2

CID: 71684443

Formula: C20H32O3

MW: 320.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.5
XLogP3	5.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	11
Exact Mass	320.23514488
Monoisotopic Mass	320.23514488
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	396
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-130229	(±) 5,6-DHET lactone
T37243-01	(±) 5 (6) -DiHETE lactone
TRC-D451678-5MG	(±)5,6-DiHETE Lactone
T36556-01	(±) 5 (6) -DiHET lactone
MBS5797666	(+/-)5(6)-DiHET lactone
MBS5798189	(+/-)5(6)-DiHETE lactone
437166-01	(±) 5,6-DiHETE Lactone discontinued
TXB-00796-01	6-Phosphoglucono-δ-lactone
OR1076452	6-Phosphoglucono-?-lactone
TRC-K200710-2.5MG	6’-Ketopravastatin Lactone