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161968-12-3 | ERYTHRO-4-(1-HYDROXY-2-HEXA-DECENYL)-2-PHENYL-2-OXAZOLINE
CAS No: 161968-12-3 Catalog No: AG00AYZ6 MDL No:
Product Description
Catalog Number:
AG00AYZ6
Chemical Name:
ERYTHRO-4-(1-HYDROXY-2-HEXA-DECENYL)-2-PHENYL-2-OXAZOLINE
CAS Number:
161968-12-3
IUPAC Name:
(E,1S)-1-[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]hexadec-2-en-1-ol
InChI:
InChI=1S/C25H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(27)23-21-28-25(26-23)22-18-15-14-16-19-22/h14-20,23-24,27H,2-13,21H2,1H3/b20-17+/t23-,24+/m1/s1
InChI Key:
AUMPNWAVBNMNDW-AILQNVPZSA-N
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
385.298g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.592g/mol
Monoisotopic Mass:
385.298g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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