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1480516-75-3 | Dibenzoazacyclooctyne-tetra(ethylene glycol)-maleimide
CAS No: 1480516-75-3 Catalog No: AG00HXLW MDL No:
Product Description
Catalog Number:
AG00HXLW
Chemical Name:
Dibenzoazacyclooctyne-tetra(ethylene glycol)-maleimide
CAS Number:
1480516-75-3
Molecular Formula:
C36H42N4O9
Molecular Weight:
674.7401
IUPAC Name:
N-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
InChI:
InChI=1S/C36H42N4O9/c41-32(14-18-39-34(43)11-12-35(39)44)38-17-20-47-22-24-49-26-25-48-23-21-46-19-15-33(42)37-16-13-36(45)40-27-30-7-2-1-5-28(30)9-10-29-6-3-4-8-31(29)40/h1-8,11-12H,13-27H2,(H,37,42)(H,38,41)
InChI Key:
VVFZXPZWVJMYPX-UHFFFAOYSA-N
SMILES:
O=C(NCCC(=O)N1Cc2ccccc2C#Cc2c1cccc2)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
Properties
Complexity:
1190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
674.295g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
674.751g/mol
Monoisotopic Mass:
674.295g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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