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PEG3-bis(Amino-Tri-(Propargyl-PEG2-ethoxymethyl)-methane)

Name: PEG3-bis(Amino-Tri-(Propargyl-PEG2-ethoxymethyl)-methane)
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.

Purity	98%
IUPAC Name	N-[1,3-bis[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propoxy]-2-[[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propoxy]methyl]propan-2-yl]-3-[2-[2-[3-[[1,3-bis[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propoxy]-2-[[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanamide
Canonical SMILES	C#CCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCC#C)(COCCC(=O)NCCOCCOCC#C)NC(=O)CCOCCOCCOCCC(=O)NC(COCCC(=O)NCCOCCOCC#C)(COCCC(=O)NCCOCCOCC#C)COCCC(=O)NCCOCCOCC#C
InChI	InChI=1S/C78H126N8O29/c1-7-27-95-47-55-103-41-21-79-69(87)13-35-110-63-77(64-111-36-14-70(88)80-22-42-104-56-48-96-28-8-2,65-112-37-15-71(89)81-23-43-105-57-49-97-29-9-3)85-75(93)19-33-101-53-61-109-62-54-102-34-20-76(94)86-78(66-113-38-16-72(90)82-24-44-106-58-50-98-30-10-4,67-114-39-17-73(91)83-25-45-107-59-51-99-31-11-5)68-115-40-18-74(92)84-26-46-108-60-52-100-32-12-6/h1-6H,13-68H2,(H,79,87)(H,80,88)(H,81,89)(H,82,90)(H,83,91)(H,84,92)(H,85,93)(H,86,94)
InChIKey	KMGOKDSPPQHINZ-UHFFFAOYSA-N
Solubility	DMSO, DCM, DMF

Storage

-20 °C

XLogP3	-8.4
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	29
Rotatable Bond Count	86
Exact Mass	1638.86307001 g/mol
Monoisotopic Mass	1638.86307001 g/mol
Topological Polar Surface Area	427Å²
Heavy Atom Count	115
Formal Charge	0
Complexity	2400
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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