Azido-PEG4-Val-Cit-PAB-OH

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Azido-PEG4-Val-Cit-PAB-OH

Azido-PEG4-Val-Cit-PAB-OH | 2055024-64-9

Catelog Number R14-0027
Category Azides
Molecular Formula C29H48N8O9
Molecular Weight 652.74
Catalog Number Size Price Quantity
R14-0027 -- $--

Chemical Information

Synonyms 1-azido-N-((S)-1-(((S)-1-((4-(hydroxymethyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)-3,6,9,12-tetraoxapentadecan-15-amide
Purity >98.0%
Shelf Life 0-4℃ for short term (days to weeks), or -20℃ for long term (months).
Canonical SMILES CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]
InChI InChI=1S/C29H48N8O9/c1-21(2)26(36-25(39)9-12-43-14-16-45-18-19-46-17-15-44-13-11-33-37-31)28(41)35-24(4-3-10-32-29(30)42)27(40)34-23-7-5-22(20-38)6-8-23/h5-8,21,24,26,38H,3-4,9-20H2,1-2H3,(H,34,40)(H,35,41)(H,36,39)(H3,30,32,42)/t24-,26-/m0/s1
InChI Key AXRCLOURQJMPLC-AHWVRZQESA-N
Solubility 10 mm in DMSO
Appearance Solid

Product Specification

Storage -20°C

Computed Properties

XLogP3 0
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 26
Exact Mass 652.35442514 g/mol
Monoisotopic Mass 652.35442514 g/mol
Topological Polar Surface Area 214Ų
Heavy Atom Count 46
Formal Charge 0
Complexity 928
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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