200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 147332-48-7
147332-48-7 | 4-Hexenoic acid, 6-[(2S,4S,5R)-2-[1-methyl-1-(4-methyl-2-nitrophenoxy)ethyl]-4-(3-pyridinyl)-1,3-dioxan-5-yl]-, (4Z)-
CAS No: 147332-48-7 Catalog No: AG001ETG MDL No:
Product Description
Catalog Number:
AG001ETG
Chemical Name:
4-Hexenoic acid, 6-[(2S,4S,5R)-2-[1-methyl-1-(4-methyl-2-nitrophenoxy)ethyl]-4-(3-pyridinyl)-1,3-dioxan-5-yl]-, (4Z)-
CAS Number:
147332-48-7
Molecular Formula:
C25H30N2O7
Molecular Weight:
470.5149
IUPAC Name:
6-[2-[2-(4-methyl-3-nitrophenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
InChI:
InChI=1S/C25H30N2O7/c1-17-11-12-20(14-21(17)27(30)31)34-25(2,3)24-32-16-19(8-5-4-6-10-22(28)29)23(33-24)18-9-7-13-26-15-18/h4-5,7,9,11-15,19,23-24H,6,8,10,16H2,1-3H3,(H,28,29)
InChI Key:
YDVMAXZQUCBVQL-UHFFFAOYSA-N
SMILES:
OC(=O)CC/C=C\C[C@@H]1CO[C@@H](O[C@@H]1c1cccnc1)C(Oc1ccc(cc1[N+](=O)[O-])C)(C)C
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.205g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
470.522g/mol
Monoisotopic Mass:
470.205g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.