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DBCO-PEG2-PFP ester

CAT: 0127-BIPG2171-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG2171-01Size:100 mg
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CAS Number
2304558-23-2
Purity
98%
Smiles
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C (=O) CCC (=O) NCCOCCOCCC (=O) OC4=C (C (=C (C (=C4F) F) F) F) F

Chemical Information

DBCO-PEG2-PFP ester
CAS Number2304558-23-2
PubChem CID137700719
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]propanoate
Molecular FormulaC32H27F5N2O6
Molecular Weight630.6
XLogP3.6
Topological Polar Surface Area94.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Heavy Atom Count45
Formal Charge0
Complexity1060
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCC(=O)OC4=C(C(=C(C(=C4F)F)F)F)F
InChI
InChI=1S/C32H27F5N2O6/c33-27-28(34)30(36)32(31(37)29(27)35)45-26(42)13-15-43-17-18-44-16-14-38-24(40)11-12-25(41)39-19-22-7-2-1-5-20(22)9-10-21-6-3-4-8-23(21)39/h1-8H,11-19H2,(H,38,40)
InChIKey
QONGBRUOEUCRRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-PEG2-PFP ester
CAS: 2304558-23-2
CID: 137700719
Formula: C32H27F5N2O6
MW: 630.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight630.6
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Exact Mass630.17892740
Monoisotopic Mass630.17892740
Topological Polar Surface Area94.2 Ų
Heavy Atom Count45
Formal Charge0
Complexity1060
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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