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1225057-68-0 | Tamra-peg4-alkyne
CAS No: 1225057-68-0 Catalog No: AG00HGR0 MDL No:
Product Description
Catalog Number:
AG00HGR0
Chemical Name:
Tamra-peg4-alkyne
CAS Number:
1225057-68-0
IUPAC Name:
2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]benzoate
InChI:
InChI=1S/C36H41N3O8/c1-6-14-43-16-18-45-20-21-46-19-17-44-15-13-37-35(40)25-7-10-28(31(22-25)36(41)42)34-29-11-8-26(38(2)3)23-32(29)47-33-24-27(39(4)5)9-12-30(33)34/h1,7-12,22-24H,13-21H2,2-5H3,(H-,37,40,41,42)
InChI Key:
WQEIEHQRZQLUSE-UHFFFAOYSA-N
Properties
Complexity:
1210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
643.289g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
643.737g/mol
Monoisotopic Mass:
643.289g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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