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Iodoacetamido-PEG6-azide

CAT: 0127-BIPG2062-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG2062-01Size:100 mg
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CAS Number
1240737-77-2
Purity
98%
Smiles
C (COCCOCCOCCOCCOCCOCCN=[N+]=[N-]) NC (=O) CI

Chemical Information

Iodoacetamido-PEG6-azide
CAS Number1240737-77-2
PubChem CID59470468
IUPAC NameN-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-iodoacetamide
Molecular FormulaC16H31IN4O7
Molecular Weight518.34
XLogP0.2
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Heavy Atom Count28
Formal Charge0
Complexity401
SMILES
C(COCCOCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)CI
InChI
InChI=1S/C16H31IN4O7/c17-15-16(22)19-1-3-23-5-7-25-9-11-27-13-14-28-12-10-26-8-6-24-4-2-20-21-18/h1-15H2,(H,19,22)
InChIKey
PIZOGBWQSYGRGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iodoacetamido-PEG6-azide
CAS: 1240737-77-2
CID: 59470468
Formula: C16H31IN4O7
MW: 518.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight518.34
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Exact Mass518.12375
Monoisotopic Mass518.12375
Topological Polar Surface Area98.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity401
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