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892156-28-4 | Atto 425-NHS ester
CAS No: 892156-28-4 Catalog No: AG00460R MDL No:
Product Description
Catalog Number:
AG00460R
Chemical Name:
Atto 425-NHS ester
CAS Number:
892156-28-4
Molecular Formula:
C26H30N2O8
Molecular Weight:
498.5250
IUPAC Name:
ethyl 9-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-6,8,8-trimethyl-2-oxo-6,7-dihydropyrano[3,2-g]quinoline-3-carboxylate
InChI:
InChI=1S/C26H30N2O8/c1-5-34-24(32)18-12-16-11-17-15(2)14-26(3,4)27(19(17)13-20(16)35-25(18)33)10-6-7-23(31)36-28-21(29)8-9-22(28)30/h11-13,15H,5-10,14H2,1-4H3
InChI Key:
PUEQEMDTFPYCDY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2cc3C(C)CC(N(c3cc2oc1=O)CCCC(=O)ON1C(=O)CCC1=O)(C)C
Properties
Complexity:
957
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.2g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.532g/mol
Monoisotopic Mass:
498.2g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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