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877061-66-0,MFCD28898449
Catalog No.:AA004N9N

877061-66-0 | Oxacyclotetradec-3-en-2-one, 5,6,8-trihydroxy-14-pentyl-, (3E)-

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Purity
Availability
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Quantity
  
1mg
≥95%
in stock  
$329.00   $230.00
- +
5mg
≥95%
in stock  
$1,559.00   $1,091.00
- +
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Technical Information
Catalog Number:
AA004N9N
Chemical Name:
Oxacyclotetradec-3-en-2-one, 5,6,8-trihydroxy-14-pentyl-, (3E)-
CAS Number:
877061-66-0
Molecular Formula:
C18H32O5
Molecular Weight:
328.4437
MDL Number:
MFCD28898449
SMILES:
CCCCCC1CCCCCC(O)CC(C(/C=C/C(=O)O1)O)O
Properties
Computed Properties
 
Complexity:
355  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.1  

Literature
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SDS
Tags:877061-66-0 Molecular Formula|877061-66-0 MDL|877061-66-0 SMILES|877061-66-0 Oxacyclotetradec-3-en-2-one, 5,6,8-trihydroxy-14-pentyl-, (3E)-