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877061-66-0 | Oxacyclotetradec-3-en-2-one, 5,6,8-trihydroxy-14-pentyl-, (3E)-
CAS No: 877061-66-0 Catalog No: AG004NCF MDL No:
Product Description
Catalog Number:
AG004NCF
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
IUPAC Name:
5,6,8-trihydroxy-14-pentyl-1-oxacyclotetradec-3-en-2-one
InChI:
InChI=1S/C18H32O5/c1-2-3-5-9-15-10-7-4-6-8-14(19)13-17(21)16(20)11-12-18(22)23-15/h11-12,14-17,19-21H,2-10,13H2,1H3
InChI Key:
LEEBEEPDVOWSDN-UHFFFAOYSA-N
SMILES:
CCCCCC1CCCCCC(O)CC(C(/C=C/C(=O)O1)O)O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.225g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
328.449g/mol
Monoisotopic Mass:
328.225g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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