CAS
93841-59-9 Purity
96%
93841-59-9 Purity
96%
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(Z)-[2-(Heptadec-8-enyl)(5H)-oxazol-4-ylidene]bis(methylene)dioleate
CAS
93841-65-7
Catalog Number
ACM93841657
Category
Other Products
Molecular Weight
896.458000 [g/mol]
Molecular Formula
C58H105NO5
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Specification
Synonyms
CTK5H3442, (Z)-[2-(HEPTADEC-8-ENYL)(5H)-OXAZOL-4-YLIDENE]BIS(METHYLENE) DIOLEATE, 93841-65-7, AG-H-84072
IUPAC Name
[2-heptadec-8-enyl-4-(octadec-9-enoyloxymethyl)-5H-1,3-oxazol-4-yl]methyl octadec-9-enoate
Canonical SMILES
CCCCCCCCC=CCCCCCCCC1=NC(CO1)(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC
InChI Key
DLZBJVKEAVLIQQ-UHFFFAOYSA-N
EC Number
299-035-4
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 90477603?
The molecular formula is C58H105NO5.
When was the compound created in PubChem?
The compound was created on February 16, 2015.
What is the molecular weight of the compound?
The molecular weight is 896.5 g/mol.
What is the InChIKey of the compound?
The InChIKey is DLZBJVKEAVLIQQ-KMQPISCYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 74.2 Ų.
How many rotatable bond counts does the compound have?
The compound has 51 rotatable bond counts.
Is the compound a covalently-bonded unit count of 1?
Yes, the compound has a covalently-bonded unit count of 1.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 21.9.
How many defined bond stereocenter counts does the compound have?
The compound has 3 defined bond stereocenter counts.
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