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DBCO-PEG4-Maleimide

CAT: 0127-OR1007322Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR1007322Size:1 Each
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CAS Number
1480516-75-3
Purity
95%
Smiles
O=C(NCCC(N1CC2=C(C#CC3=C1C=CC=C3)C=CC=C2)=O)CCOCCOCCOCCOCCNC(CCN4C(C=CC4=O)=O)=O

Chemical Information

DBCO-PEG4-Maleimide
CAS Number1480516-75-3
PubChem CID86580488
IUPAC NameN-[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
Molecular FormulaC36H42N4O9
Molecular Weight674.7
XLogP0
Topological Polar Surface Area153
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Heavy Atom Count49
Formal Charge0
Complexity1190
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCNC(=O)CCN4C(=O)C=CC4=O
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)
InChIKey
VVFZXPZWVJMYPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-PEG4-Maleimide
CAS: 1480516-75-3
CID: 86580488
Formula: C36H42N4O9
MW: 674.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight674.7
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Exact Mass674.29517893
Monoisotopic Mass674.29517893
Topological Polar Surface Area153 Ų
Heavy Atom Count49
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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