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Puromycin 2HCl 10mg

CAT: 0628-A14268-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A14268-10Size:10 mg
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CAS Number
58-58-2

Chemical Information

Puromycin Hydrochloride

Puromycin dihydrochloride is a white powder. (NTP, 1992)

CAS Number58-58-2
PubChem CID443311
IUPAC Name(2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide;dihydrochloride
Molecular FormulaC22H31Cl2N7O5
Molecular Weight544.4
Topological Polar Surface Area161
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity680
SMILES
CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)OC)N)O.Cl.Cl
InChI
InChI=1S/C22H29N7O5.2ClH/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12;;/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32);2*1H/t14-,15+,16+,18+,22+;;/m0../s1
InChIKey
MKSVFGKWZLUTTO-FZFAUISWSA-N
Chemical Structure
2D Structure
2D structure of Puromycin Hydrochloride
CAS: 58-58-2
CID: 443311
Formula: C22H31Cl2N7O5
MW: 544.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass543.1763725
Monoisotopic Mass543.1763725
Topological Polar Surface Area161 Ų
Heavy Atom Count36
Formal Charge0
Complexity680
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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