CAS
90691-08-0 Purity
96%
90691-08-0 Purity
96%
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Eptaloprost
CAS
90693-76-8
Catalog Number
ACM90693768
Category
Other Products
Molecular Weight
402.52
Molecular Formula
C24H34O5
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Specification
Synonyms
Eptaloprost, Eptaloprostum, Eptaloprostum [Latin], UNII-93X6A56W84, CID6436047, 4-(2-((2E,3aS,4S,5R,6aS)-Hexahydro-5-hydroxy-4-((3S,4S)-3-hydroxy-4-methyl-1,6-nonadiyny)-2(1H)-pentalenylidene)ethoxy)butyric acid, 90693-76-8
IUPAC Name
4-[(2E)-2-[(3aS,4S,5R,6aS)-5-hydroxy-4-[(3S,4S)-3-hydroxy-4-methylnona-1,6-diynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]ethoxy]butanoic acid
Canonical SMILES
CCC#CCC(C)C(C#CC1C(CC2C1CC(=CCOCCCC(=O)O)C2)O)O
InChI Key
MAUUNYHAXGTMMQ-AMXXQSRZSA-N
Boiling Point
607.9ºC at 760mmHg
Flash Point
204.2ºC
Density
1.17g/cm³
Exact Mass
402.24100
H-Bond Acceptor
5
H-Bond Donor
3
What is the molecular formula of Eptaloprost?
The molecular formula of Eptaloprost is C24H34O5.
What is the molecular weight of Eptaloprost?
The molecular weight of Eptaloprost is 402.5 g/mol.
What is the IUPAC Name of Eptaloprost?
The IUPAC Name of Eptaloprost is 4-[(2E)-2-[(3aS,4S,5R,6aS)-5-hydroxy-4-[(3S,4S)-3-hydroxy-4-methylnona-1,6-diynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]ethoxy]butanoic acid.
What is the InChIKey of Eptaloprost?
The InChIKey of Eptaloprost is MAUUNYHAXGTMMQ-AMXXQSRZSA-N.
How many hydrogen bond donor counts does Eptaloprost have?
Eptaloprost has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Eptaloprost have?
Eptaloprost has 5 hydrogen bond acceptor counts.
What is the topological polar surface area of Eptaloprost?
The topological polar surface area of Eptaloprost is 87.2.
How many defined atom stereocenters does Eptaloprost have?
Eptaloprost has 6 defined atom stereocenters.
What is the exact mass of Eptaloprost?
The exact mass of Eptaloprost is 402.24062418 g/mol.
What is the canonical SMILES of Eptaloprost?
The canonical SMILES of Eptaloprost is CCC#CCC(C)C(C#CC1C(CC2C1CC(=CCOCCCC(=O)O)C2)O)O.
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