BCN-endo-PEG4-NHS

CAT: 0607-BA2525-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2525-50Size:50 mg

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CAS Number

1702356-19-1

Form

A viscous liquid

Molecular Formula

C26H38N2O10

Molecular Weight

538.59

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

BCN-PEG4-NHS ester

CAS Number	1702356-19-1
PubChem CID	121242067
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular Formula	C26H38N2O10
Molecular Weight	538.6
XLogP	0.7
Topological Polar Surface Area	139
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	20
Heavy Atom Count	38
Formal Charge	0
Complexity	833

SMILES

C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)CCC#C1

InChI

InChI=1S/C26H38N2O10/c29-23-7-8-24(30)28(23)38-25(31)9-11-33-13-15-35-17-18-36-16-14-34-12-10-27-26(32)37-19-22-20-5-3-1-2-4-6-21(20)22/h20-22H,3-19H2,(H,27,32)/t20-,21+,22?

InChIKey

MFQCOKMBYCIQEJ-CBQGHPETSA-N

Chemical Structure

2D Structure

CAS: 1702356-19-1

CID: 121242067

Formula: C26H38N2O10

MW: 538.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	538.6
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	20
Exact Mass	538.25264541
Monoisotopic Mass	538.25264541
Topological Polar Surface Area	139 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	833
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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HY-135971-01	Endo-BCN-PEG4-acid
T15227-01	Endo-BCN-PEG4-Boc
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BCN-endo-PEG4-NHS

Chemical Information

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