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133005-45-5 | 1-Heptadecene-11,13-diyne-8,9,10-triol, (8S,9R,10S)-
CAS No: 133005-45-5 Catalog No: AG0011II MDL No:
Product Description
Catalog Number:
AG0011II
Chemical Name:
1-Heptadecene-11,13-diyne-8,9,10-triol, (8S,9R,10S)-
CAS Number:
133005-45-5
Molecular Formula:
C17H26O3
Molecular Weight:
278.3865
IUPAC Name:
heptadec-1-en-11,13-diyne-8,9,10-triol
InChI:
InChI=1S/C17H26O3/c1-3-5-7-9-11-13-15(18)17(20)16(19)14-12-10-8-6-4-2/h3,15-20H,1,4-7,9,11,13H2,2H3
InChI Key:
VTJDJUWUGQEKRI-UHFFFAOYSA-N
SMILES:
C=CCCCCC[C@@H]([C@H]([C@H](C#CC#CCCC)O)O)O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.188g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.392g/mol
Monoisotopic Mass:
278.188g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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