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NH2-PEG-FA

CAT: 0013-GTR19217031-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217031-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NH2-PEG-FA
CAS Number
2032217-66-4
Purity
>98% (HPLC)
Molecular Formula
——
Molecular Weight
——
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

NH2-Peg-FA
CAS Number2032217-66-4
PubChem CID156093912
IUPAC Name5-[2-(2-aminoethoxy)ethylamino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid
Molecular FormulaC23H29N9O6
Molecular Weight527.5
XLogP-4.7
Topological Polar Surface Area236
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Heavy Atom Count38
Formal Charge0
Complexity864
SMILES
C1=CC(=CC=C1C(=O)NC(CCC(=O)NCCOCCN)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N
InChI
InChI=1S/C23H29N9O6/c24-7-9-38-10-8-26-17(33)6-5-16(22(36)37)30-20(34)13-1-3-14(4-2-13)27-11-15-12-28-19-18(29-15)21(35)32-23(25)31-19/h1-4,12,16,27H,5-11,24H2,(H,26,33)(H,30,34)(H,36,37)(H3,25,28,31,32,35)
InChIKey
QWYFTINKVQGFTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NH2-Peg-FA
CAS: 2032217-66-4
CID: 156093912
Formula: C23H29N9O6
MW: 527.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.5
XLogP3-4.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Exact Mass527.22407968
Monoisotopic Mass527.22407968
Topological Polar Surface Area236 Ų
Heavy Atom Count38
Formal Charge0
Complexity864
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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