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158847-14-4 | 1-Hexadecanol, 2-tetradecyl-
CAS No: 158847-14-4 Catalog No: AG001QYK MDL No:
Product Description
Catalog Number:
AG001QYK
Chemical Name:
1-Hexadecanol, 2-tetradecyl-
CAS Number:
158847-14-4
Molecular Formula:
C30H62O
Molecular Weight:
438.8127
IUPAC Name:
2-tetradecylhexadecan-1-ol
InChI:
InChI=1S/C30H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30(29-31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31H,3-29H2,1-2H3
InChI Key:
AMFFPHQWQAZJHI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.48g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.825g/mol
Monoisotopic Mass:
438.48g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.6
Literature
| Title | Journal |
|---|---|
| Synthesis of novel ganglioside GM4 analogues containing N-deacetylated and lactamized sialic acid: probes for searching new ligand structures for human L-selectin. | Carbohydrate research 20010115 |
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