Desthiobiotin-Iodoacetamide

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CAS Number

2924824-04-2

Purity

98%

Smiles

ICC(NCCNC(CCCCC[C@H]1NC(N[C@H]1C)=O)=O)=O

Chemical Information

Desthiobiotin-Iodoacetamide

CAS Number	2924824-04-2
PubChem CID	166642567
IUPAC Name	N-[2-[(2-iodoacetyl)amino]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
Molecular Formula	C14H25IN4O3
Molecular Weight	424.28
XLogP	0.5
Topological Polar Surface Area	99.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Heavy Atom Count	22
Formal Charge	0
Complexity	392

SMILES

C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)NCCNC(=O)CI

InChI

InChI=1S/C14H25IN4O3/c1-10-11(19-14(22)18-10)5-3-2-4-6-12(20)16-7-8-17-13(21)9-15/h10-11H,2-9H2,1H3,(H,16,20)(H,17,21)(H2,18,19,22)/t10-,11+/m0/s1

InChIKey

ASKKBTGJVCEXOA-WDEREUQCSA-N

Chemical Structure

2D Structure

CAS: 2924824-04-2

CID: 166642567

Formula: C14H25IN4O3

MW: 424.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	424.28
XLogP3	0.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Exact Mass	424.09714
Monoisotopic Mass	424.09714
Topological Polar Surface Area	99.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	392
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BA2369-1	Desthiobiotin-Iodoacetamide
HY-143205-01	Desthiobiotin polyethyleneoxide iodoacetamide
abx082318	Iodoacetamide
sc-203320	α-Iodoacetamide
AR-B07303-01	Desthiobiotin