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N-acetyldopamine dimmers B

CAT: 1410-M39035-01Size: 1 EachDry Ice: NoHazardous: No
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Description
N-Acetyldopamine dimers B is the dimer form of N-Acetyldopamine.
CAS Number
482579-01-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
386.4
Molecular Formula
C20H22N2O6
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

N-Acetyldopamine dimers B
CAS Number482579-01-1
PubChem CID171391395
IUPAC NameN-[2-[(2S,3R)-3-acetamido-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethyl]acetamide
Molecular FormulaC20H22N2O6
Molecular Weight386.4
XLogP1.5
Topological Polar Surface Area117
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity559
SMILES
CC(=O)NCCC1=CC2=C(C=C1)O[C@H]([C@@H](O2)NC(=O)C)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C20H22N2O6/c1-11(23)21-8-7-13-3-6-17-18(9-13)28-20(22-12(2)24)19(27-17)14-4-5-15(25)16(26)10-14/h3-6,9-10,19-20,25-26H,7-8H2,1-2H3,(H,21,23)(H,22,24)/t19-,20+/m0/s1
InChIKey
VUANWDRZYTXGPI-VQTJNVASSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyldopamine dimers B
CAS: 482579-01-1
CID: 171391395
Formula: C20H22N2O6
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass386.14778643
Monoisotopic Mass386.14778643
Topological Polar Surface Area117 Ų
Heavy Atom Count28
Formal Charge0
Complexity559
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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