Fmoc-NH-PEG5-NHS

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CAS Number

1402080-11-8

Chemical Information

Fmoc-PEG5-NHS ester

CAS Number	1402080-11-8
PubChem CID	102514880
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular Formula	C32H40N2O11
Molecular Weight	628.7
XLogP	1.3
Topological Polar Surface Area	148
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	23
Heavy Atom Count	45
Formal Charge	0
Complexity	897

SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C32H40N2O11/c35-29-9-10-30(36)34(29)45-31(37)11-13-39-15-17-41-19-21-43-22-20-42-18-16-40-14-12-33-32(38)44-23-28-26-7-3-1-5-24(26)25-6-2-4-8-27(25)28/h1-8,28H,9-23H2,(H,33,38)

InChIKey

YYYFZVKBZSMQTP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1402080-11-8

CID: 102514880

Formula: C32H40N2O11

MW: 628.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	628.7
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	23
Exact Mass	628.26321010
Monoisotopic Mass	628.26321010
Topological Polar Surface Area	148 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	897
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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MD069023-3	Fmoc-NH-PEG3-NHS
MD069023-4	Fmoc-NH-PEG4-NHS
MD022023-5	Mal-NH-PEG5-NHS
MD069016-5-01	Fmoc-NH-PEG5-COOH
MD069121-5-01	Fmoc-NH-PEG5-CH2COOH
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T207950-01	Fmoc-NH-PEG5-NH-Boc
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abx085353-01	Fmoc-NH-PEG-NHS
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Fmoc-NH-PEG5-NHS

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