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DBCO-PEG9-amine

CAT: 0127-BIPG1917-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG1917-02Size:100 mg
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CAS Number
2353409-99-9
Purity
98%
Smiles
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C (=O) CCC (=O) NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN

Chemical Information

DBCO-PEG9-amine
CAS Number2353409-99-9
PubChem CID134827744
IUPAC NameN-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide
Molecular FormulaC39H57N3O11
Molecular Weight743.9
XLogP-0.2
Topological Polar Surface Area159
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count32
Heavy Atom Count53
Formal Charge0
Complexity1010
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C39H57N3O11/c40-13-15-45-17-19-47-21-23-49-25-27-51-29-31-53-32-30-52-28-26-50-24-22-48-20-18-46-16-14-41-38(43)11-12-39(44)42-33-36-7-2-1-5-34(36)9-10-35-6-3-4-8-37(35)42/h1-8H,11-33,40H2,(H,41,43)
InChIKey
ONUWAJBCFPYIFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-PEG9-amine
CAS: 2353409-99-9
CID: 134827744
Formula: C39H57N3O11
MW: 743.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight743.9
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count32
Exact Mass743.39930964
Monoisotopic Mass743.39930964
Topological Polar Surface Area159 Ų
Heavy Atom Count53
Formal Charge0
Complexity1010
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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