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Azido-PEG3-SS-PEG3-azide

CAT: 0572-TRC-A965685-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A965685-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1310827-27-0
Hazard Statement
No Data Available
Smiles
[N-]=[N+]=NCCOCCOCCOCCSSCCOCCOCCOCCN=[N+]=[N-]
Molecular Formula
C16 H32 N6 O6 S2
Molecular Weight
468.592
InChI
InChI=1S/C16H32N6O6S2/c17-21-19-1-3-23-5-7-25-9-11-27-13-15-29-30-16-14-28-12-10-26-8-6-24-4-2-20-22-18/h1-16H2
Additionnal Information
IUPAC name: 1-azido-2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethane
Shipping Conditions
Room Temperature

Chemical Information

Azido-PEG3-SS-PEG3-azide
CAS Number1310827-27-0
PubChem CID102514851
IUPAC Name1-azido-2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethane
Molecular FormulaC16H32N6O6S2
Molecular Weight468.6
XLogP1.8
Topological Polar Surface Area135
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count25
Heavy Atom Count30
Formal Charge0
Complexity416
SMILES
C(COCCOCCOCCSSCCOCCOCCOCCN=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C16H32N6O6S2/c17-21-19-1-3-23-5-7-25-9-11-27-13-15-29-30-16-14-28-12-10-26-8-6-24-4-2-20-22-18/h1-16H2
InChIKey
RTXZMZORLYBGQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azido-PEG3-SS-PEG3-azide
CAS: 1310827-27-0
CID: 102514851
Formula: C16H32N6O6S2
MW: 468.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.6
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count25
Exact Mass468.18247511
Monoisotopic Mass468.18247511
Topological Polar Surface Area135 Ų
Heavy Atom Count30
Formal Charge0
Complexity416
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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