Acid-PEG2-SS-PEG2-acid

CAT: 0607-BA2566-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2566-100Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1807539-10-1

Form

A solid

Molecular Formula

C14H26O8S2

Molecular Weight

386.48

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Acid-PEG2-SS-PEG2-Acid

CAS Number	1807539-10-1
PubChem CID	91809454
IUPAC Name	3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethyldisulfanyl]ethoxy]ethoxy]propanoic acid
Molecular Formula	C14H26O8S2
Molecular Weight	386.5
XLogP	-0.7
Topological Polar Surface Area	162
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	19
Heavy Atom Count	24
Formal Charge	0
Complexity	287

SMILES

C(COCCOCCSSCCOCCOCCC(=O)O)C(=O)O

InChI

InChI=1S/C14H26O8S2/c15-13(16)1-3-19-5-7-21-9-11-23-24-12-10-22-8-6-20-4-2-14(17)18/h1-12H2,(H,15,16)(H,17,18)

InChIKey

TZKZHEPGHNBGKD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1807539-10-1

CID: 91809454

Formula: C14H26O8S2

MW: 386.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	386.5
XLogP3	-0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	19
Exact Mass	386.10691013
Monoisotopic Mass	386.10691013
Topological Polar Surface Area	162 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	287
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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