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Azido-PEG3-Val-Cit-PAB-OH | CAS 2055024-65-0

Name: Azido-PEG3-Val-Cit-PAB-OH
Brand: BOC Sciences
Rating: 5 (1 reviews)

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* Please be kindly noted products are not for therapeutic use. We do not sell to patients.

Product Introduction

Synonyms	(S)-2-((S)-1-azido-14-isopropyl-12-oxo-3,6,9-trioxa-13-azapentadecan-15-amido)-N-(4-(hydroxymethyl)phenyl)-5-ureidopentanamide
Purity	>98.0%
Shelf Life	-20°C 3 years powder; -80°C 2 years in solvent
IUPAC Name
Canonical SMILES	CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCN=[N+]=[N-]
InChI	InChI=1S/C27H44N8O8/c1-19(2)24(34-23(37)9-12-41-14-16-43-17-15-42-13-11-31-35-29)26(39)33-22(4-3-10-30-27(28)40)25(38)32-21-7-5-20(18-36)6-8-21/h5-8,19,22,24,36H,3-4,9-18H2,1-2H3,(H,32,38)(H,33,39)(H,34,37)(H3,28,30,40)/t22-,24-/m0/s1
InChIKey	UNBTYONTPDVRKD-UPVQGACJSA-N
Solubility	10 mm in DMSO
Appearance	Solid

Storage

-20°C

XLogP3	0.2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	23
Exact Mass	608.32821039 g/mol
Monoisotopic Mass	608.32821039 g/mol
Topological Polar Surface Area	205Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	879
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