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6-FAM-PEG3-Azide

CAT: 0607-C8370-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-C8370-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
412319-45-0
Molecular Formula
C29H28N4O9
Molecular Weight
576.55
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

6-FAM-PEG3-Azide
CAS Number412319-45-0
PubChem CID59046459
IUPAC NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxamide
Molecular FormulaC29H28N4O9
Molecular Weight576.6
XLogP3.2
Topological Polar Surface Area147
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Heavy Atom Count42
Formal Charge0
Complexity953
SMILES
C1=CC2=C(C=C1C(=O)NCCOCCOCCOCCN=[N+]=[N-])C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
InChI
InChI=1S/C29H28N4O9/c30-33-32-8-10-39-12-14-40-13-11-38-9-7-31-27(36)18-1-4-21-24(15-18)29(42-28(21)37)22-5-2-19(34)16-25(22)41-26-17-20(35)3-6-23(26)29/h1-6,15-17,34-35H,7-14H2,(H,31,36)
InChIKey
PKYHWLLVYRCZEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-FAM-PEG3-Azide
CAS: 412319-45-0
CID: 59046459
Formula: C29H28N4O9
MW: 576.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.6
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Exact Mass576.18562848
Monoisotopic Mass576.18562848
Topological Polar Surface Area147 Ų
Heavy Atom Count42
Formal Charge0
Complexity953
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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