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Desthiobiotin-tyramide

CAT: 0926-SPD90255-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-SPD90255-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2242902-55-0
Smiles
CC1C (NC (=O) N1) CCCCCC (=O) NCCC2=CC=C (C=C2) O
Molecular Formula
C18H27N3O3
Molecular Weight
333.4 g/mol
Controlled
No

Chemical Information

(4R,5S)-N-[2-(4-Hydroxyphenyl)ethyl]-5-methyl-2-oxo-4-imidazolidinehexanamide
CAS Number2242902-55-0
PubChem CID145867002
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
Molecular FormulaC18H27N3O3
Molecular Weight333.4
XLogP2.1
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity408
SMILES
C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)NCCC2=CC=C(C=C2)O
InChI
InChI=1S/C18H27N3O3/c1-13-16(21-18(24)20-13)5-3-2-4-6-17(23)19-12-11-14-7-9-15(22)10-8-14/h7-10,13,16,22H,2-6,11-12H2,1H3,(H,19,23)(H2,20,21,24)/t13-,16+/m0/s1
InChIKey
PEEUVHKSWMJVJX-XJKSGUPXSA-N
Chemical Structure
2D Structure
2D structure of (4R,5S)-N-[2-(4-Hydroxyphenyl)ethyl]-5-methyl-2-oxo-4-imidazolidinehexanamide
CAS: 2242902-55-0
CID: 145867002
Formula: C18H27N3O3
MW: 333.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.4
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass333.20524173
Monoisotopic Mass333.20524173
Topological Polar Surface Area90.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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