 Home > Encyclopedia > 6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid

6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid

6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid structure

CAS No:
72040-64-3
Formula:
C16H27N3O4S
Chemical Name:
6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid
Synonyms:
Hexanoic acid,6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-;Hexanoic acid,6-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]-,[3aS-(3aα,4β,6aα)]-;Hexanoic acid,6-[5-(tetrahydro-2-oxothieno[3,4-d]imidazolin-4-yl)valeramido]-;1H-Thieno[3,4-d]imidazole,hexanoic acid deriv.;6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid;6-Biotinamidocaproic acid;6-[(Biotinyl)amino]hexanoic acid;Biotin X;6-(Biotinylamino)caproic acid;N-Biotinyl-6-aminohexanoic acid;121112-82-1;122984-65-0;1798818-48-0

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Description

White Solid

6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid Basic Attributes

Molecular Weight：

357.47

Exact Mass：

357.47

DSSTox ID：

DTXSID00332237

HScode：

29349990

Characteristics

PSA：

133

XLogP3：

0.7

Density：

1.2g/cm3

Melting Point：

156 °C

Boiling Point：

721.3°C at 760 mmHg

Flash Point：

390ºC

Refractive Index：

1.532

Storage Conditions：

-20°C Freezer

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Marks：

F: Flammable;

Stability/Shelf Life：

Hygroscopic! Store Under Inert Atmosphere.

6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid Use and Manufacturing

Methods of Manufacturing

ε-Aminocaproic acid (966mg, 8.4mmol) was dissolved in 30mL 1M aqueous NaHCOLithium hydroxide (4equiv) solution was added to 6 (1equiv) dissolved in methanol. The solution was heated to reflux overnight. The product 7 was precipitated as white solid. Then a hydrochloric acid solution (6 N) was added until the pH was 5. The product was filtered, and dried under vacuum.

Uses

An active Biotinylation reagent

Computed Properties

Molecular Weight:357.5
XLogP3:0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:357.17222752
Monoisotopic Mass:357.17222752
Topological Polar Surface Area:133
Heavy Atom Count:24
Complexity:461
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid

SDS

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