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74622-75-6 | pentadecyl 3-sulfanylpropanoate
CAS No: 74622-75-6 Catalog No: AG005J2C MDL No:
Product Description
Catalog Number:
AG005J2C
Chemical Name:
pentadecyl 3-sulfanylpropanoate
CAS Number:
74622-75-6
Molecular Formula:
C18H36O2S
Molecular Weight:
316.5422
IUPAC Name:
[(2R,3R,4R,5R)-4-(dimethylamino)-6-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-5-hydroxy-2-methyloxan-3-yl] acetate
InChI:
InChI=1S/C31H33NO9/c1-8-16-11-19-23(21(12-16)37-6)18-13-22(38-7)25-20(34)10-9-17(24(25)29(18)41-31(19)36)30-27(35)26(32(4)5)28(14(2)39-30)40-15(3)33/h8-14,26-28,30,34-35H,1H2,2-7H3/t14-,26-,27-,28+,30?/m1/s1
InChI Key:
GHLIFBNIGXVDHM-VQXSZRIGSA-N
SMILES:
CCCCCCCCCCCCCCCOC(=O)CCS
Properties
Complexity:
975
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
563.216g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
563.603g/mol
Monoisotopic Mass:
563.216g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Cloning and characterization of the ravidomycin and chrysomycin biosynthetic gene clusters. | Chembiochem : a European journal of chemical biology 20100301 |
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