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LTA4 (Leukotriene A4 methyl ester)

CAT: 0572-TRC-L473505-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L473505-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73466-12-3
Hazard Statement
No Data Available
Smiles
CCCCC\C=C/C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)OC
Molecular Formula
C21 H32 O3
Molecular Weight
332.477
InChI
InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h7-8,10-14,16,19-20H,3-6,9,15,17-18H2,1-2H3/b8-7-,11-10-,13-12+,16-14+/t19-,20-/m0/s1
Additionnal Information
IUPAC name: methyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoate
Shipping Conditions
Room Temperature

Chemical Information

methyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoate
CAS Number73466-12-3
PubChem CID6478221
IUPAC Namemethyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoate
Molecular FormulaC21H32O3
Molecular Weight332.5
XLogP5.6
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count24
Formal Charge0
Complexity446
SMILES
CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1[C@@H](O1)CCCC(=O)OC
InChI
InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h7-8,10-14,16,19-20H,3-6,9,15,17-18H2,1-2H3/b8-7-,11-10-,13-12+,16-14+/t19-,20-/m0/s1
InChIKey
WTKAVFHPLJFCMZ-NIBLXIPLSA-N
Chemical Structure
2D Structure
2D structure of methyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoate
CAS: 73466-12-3
CID: 6478221
Formula: C21H32O3
MW: 332.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.5
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass332.23514488
Monoisotopic Mass332.23514488
Topological Polar Surface Area38.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
453937-01LTA4 (Leukotriene A4 methyl ester)
453666-01Leukotriene E4 methyl ester
BML-LA004-0050Leukotriene A4 methyl ester
IDA85138Leukotriene A3 methyl ester
T37620-01Leukotriene C4 methyl ester
HY-W747562Leukotriene A 3 methyl ester
sc-221846ALeukotriene D4 methyl ester
HY-126716SLeukotriene C4-d5 methyl ester
L2046-01ELeukotriene A4 (LTA4) Hydrolase
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