Pentynoic acid STP ester sodium

CAT: 0931-TYD-02803-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TYD-02803-01Size:10 mg

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CAS Number

1807530-14-8

Target

Others

Related Pathways

Others

Bioactivity

Pentynoic acid STP ester sodium is a click chemistry reagent that features terminal propargyl and STP ester groups. It is suitable for protein modification.

Smiles

O=C(CCC#C)OC1=C(C(F)=C(S(=O)([O-])=O)C(F)=C1F)F.[Na+]

Molecular Formula

C11H6F4NaO5S

Molecular Weight

348.2

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Pentynoic acid STP ester

CAS Number	1807530-14-8
PubChem CID	91757886
IUPAC Name	sodium 2,3,5,6-tetrafluoro-4-pent-4-ynoyloxybenzenesulfonate
Molecular Formula	C11H5F4NaO5S
Molecular Weight	348.20
Topological Polar Surface Area	91.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	526

SMILES

C#CCCC(=O)OC1=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F.[Na+]

InChI

InChI=1S/C11H6F4O5S.Na/c1-2-3-4-5(16)20-10-6(12)8(14)11(21(17,18)19)9(15)7(10)13;/h1H,3-4H2,(H,17,18,19);/q;+1/p-1

InChIKey

QVSTTZKAIDTZNG-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1807530-14-8

CID: 91757886

Formula: C11H5F4NaO5S

MW: 348.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	348.20
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	347.96915136
Monoisotopic Mass	347.96915136
Topological Polar Surface Area	91.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	526
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	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19267150-01	Pentynoic acid STP ester sodium
HY-138246-01	Pentynoic acid STP ester (sodium)
A8146-10	Pentynoic acid STP ester
NCA09341-01	4-Pentynoic Acid Ethyl Ester
433347-01	4-Pentynoic Acid Methyl Ester
426586-01	3-Pentynoic Acid Methyl Ester
ADC-L-084	4-pentynoic acid succinimidyl ester
sc-477905	2-Pentynoic Acid Methyl Ester
TRC-P284855-500MG	3-Pentynoic Acid Ethyl Ester
419051-01	2-Pentynoic Acid Ethyl Ester

Pentynoic acid STP ester sodium

Chemical Information

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