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Photobiotin

Photobiotin structure

CAS No:
96087-37-5
Formula:
C23H35N9O4S
Chemical Name:
Photobiotin
Synonyms:
1H-Thieno[3,4-d]imidazole-4-pentanamide,N-[3-[[3-[(4-azido-2-nitrophenyl)amino]propyl]methylamino]propyl]hexahydro-2-oxo-,(3aS,4S,6aR)-;1H-Thieno[3,4-d]imidazole-4-pentanamide,N-[3-[[3-[(4-azido-2-nitrophenyl)amino]propyl]methylamino]propyl]hexahydro-2-oxo-,[3aS-(3aα,4β,6aα)]-;(3aS,4S,6aR)-N-[3-[[3-[(4-Azido-2-nitrophenyl)amino]propyl]methylamino]propyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide;Photobiotin;EZ-Link Photoactivatable Biotin
Categories:
Organic Chemistry > Azides

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Photobiotin Basic Attributes

Molecular Weight：

533.64700

Exact Mass：

533.25327181

Characteristics

PSA：

206.37000

XLogP3：

4.59996

Melting Point：

114.5-115ºC

Storage Conditions：

-20ºC

Safety Information

wgk germany：

Drug Information

MeSH：

Analogs of those substrates or compounds which bind naturally at the active sites of proteins, enzymes, antibodies, steroids, or physiological receptors. These analogs form a stable covalent bond at the binding site, thereby acting as inhibitors of the proteins or steroids. (See all compounds classified as Affinity Labels.)

MeSH Entry Terms：

N-(4-azido-2-nitrophenyl)-N',N-biotinyl-3-aminopropyl-N'-methyl-1,3-propanediamine

Computed Properties

Molecular Weight:533.6
XLogP3:3.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:15
Exact Mass:533.25327181
Monoisotopic Mass:533.25327181
Topological Polar Surface Area:171
Heavy Atom Count:37
Complexity:823
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes