CAS
9011-55-6 Purity
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9011-55-6 Purity
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LEUKOTRIENE A5 METHYL ESTER
CAS
90121-06-5
Catalog Number
ACM90121065
Category
Other Products
Molecular Weight
330.461100 [g/mol]
Molecular Formula
C21H30O3
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Specification
Synonyms
leukotrieneA5methylester, 90121-06-5
IUPAC Name
methyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z,11Z)-tetradeca-1,3,5,8,11-pentaenyl]oxiran-2-yl]butanoate
Canonical SMILES
CCC=CCC=CCC=CC=CC=CC1C(O1)CCCC(=O)OC
InChI Key
HCMWNPDRQULADN-WMIGWDTMSA-N
Exact Mass
330.21900
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of LEUKOTRIENE A5 METHYL ESTER?
The molecular formula of LEUKOTRIENE A5 METHYL ESTER is C21H30O3.
What is the molecular weight of LEUKOTRIENE A5 METHYL ESTER?
The molecular weight of LEUKOTRIENE A5 METHYL ESTER is 330.5 g/mol.
What is the IUPAC name of LEUKOTRIENE A5 METHYL ESTER?
The IUPAC name of LEUKOTRIENE A5 METHYL ESTER is methyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z,11Z)-tetradeca-1,3,5,8,11-pentaenyl]oxiran-2-yl]butanoate.
What is the InChI of LEUKOTRIENE A5 METHYL ESTER?
The InChI of LEUKOTRIENE A5 METHYL ESTER is InChI=1S/C21H30O3/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/h4-5,7-8,10-14,16,19-20H,3,6,9,15,17-18H2,1-2H3/b5-4-,8-7-,11-10-,13-12+,16-14+/t19-,20-/m0/s1.
What is the InChIKey of LEUKOTRIENE A5 METHYL ESTER?
The InChIKey of LEUKOTRIENE A5 METHYL ESTER is HCMWNPDRQULADN-WMIGWDTMSA-N.
What is the canonical SMILES of LEUKOTRIENE A5 METHYL ESTER?
The canonical SMILES of LEUKOTRIENE A5 METHYL ESTER is CCC=CCC=CCC=CC=CC=CC1C(O1)CCCC(=O)OC.
How many hydrogen bond donor counts does LEUKOTRIENE A5 METHYL ESTER have?
LEUKOTRIENE A5 METHYL ESTER has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does LEUKOTRIENE A5 METHYL ESTER have?
LEUKOTRIENE A5 METHYL ESTER has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does LEUKOTRIENE A5 METHYL ESTER have?
LEUKOTRIENE A5 METHYL ESTER has 13 rotatable bond counts.
Is LEUKOTRIENE A5 METHYL ESTER considered a canonicalized compound?
Yes, LEUKOTRIENE A5 METHYL ESTER is considered a canonicalized compound.
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