DBCO-PEG10-DBCO

CAT: 0127-BIPG2314-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG2314-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2096516-12-8

Purity

98%

Smiles

C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C (=O) CCNC (=O) CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC (=O) NCCC (=O) N4CC5=CC=CC=C5C#CC6=CC=CC=C64

Chemical Information

Dbco-peg10-dbco

CAS Number	2096516-12-8
PubChem CID	137334065
IUPAC Name	N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
Molecular Formula	C60H74N4O14
Molecular Weight	1075.2
XLogP	2.4
Topological Polar Surface Area	191
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	39
Heavy Atom Count	78
Formal Charge	0
Complexity	1720

SMILES

C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64

InChI

InChI=1S/C60H74N4O14/c65-57(61-25-21-59(67)63-47-53-13-3-1-9-49(53)17-19-51-11-5-7-15-55(51)63)23-27-69-29-31-71-33-35-73-37-39-75-41-43-77-45-46-78-44-42-76-40-38-74-36-34-72-32-30-70-28-24-58(66)62-26-22-60(68)64-48-54-14-4-2-10-50(54)18-20-52-12-6-8-16-56(52)64/h1-16H,21-48H2,(H,61,65)(H,62,66)

InChIKey

YKWYKWQNOGPNML-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2096516-12-8

CID: 137334065

Formula: C60H74N4O14

MW: 1075.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1075.2
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	39
Exact Mass	1074.52015305
Monoisotopic Mass	1074.52015305
Topological Polar Surface Area	191 Å²
Heavy Atom Count	78
Formal Charge	0
Complexity	1720
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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DBCO-PEG10-DBCO

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