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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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1 USDMF

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Also known as: 1058691-00-1, M-peg5-succinimidylcarbonate, (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl carbonate, Schembl3839841, Sb67267, Bp-23729

Molecular Formula

C₁₆H₂₇NO₁₀

Molecular Weight

393.39 g/mol

InChI Key

ZQIGTCCMJKPNRJ-UHFFFAOYSA-N

1 2D Structure

m-PEG5-succinimidyl carbonate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl carbonate

2.1.2 InChI

InChI=1S/C16H27NO10/c1-21-4-5-22-6-7-23-8-9-24-10-11-25-12-13-26-16(20)27-17-14(18)2-3-15(17)19/h2-13H2,1H3

2.1.3 InChI Key

ZQIGTCCMJKPNRJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COCCOCCOCCOCCOCCOC(=O)ON1C(=O)CCC1=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1058691-00-1

2. M-peg5-succinimidylcarbonate

3. (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl Carbonate

4. Schembl3839841

5. Sb67267

6. Bp-23729

7. Hy-130150

8. Cs-0105266

9. C70310

2.3 Create Date

2015-02-12

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₇NO₁₀
Molecular Weight	393.39 g/mol
XLogP3	-1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	18
Exact Mass	393.16349606 g/mol
Monoisotopic Mass	393.16349606 g/mol
Topological Polar Surface Area	119 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	429
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