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2-amino-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}-3-(4-methoxyphenyl)propanamide hydrochloride
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ChemBase ID:
105806
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Molecular Formular:
C22H30ClN7O5
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Molecular Mass:
507.9705
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Monoisotopic Mass:
507.19969478
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SMILES and InChIs
SMILES:
Cl.COc1ccc(CC(N)C(=O)NC2C(O)C(OC2CO)n2cnc3c(ncnc23)N(C)C)cc1
Canonical SMILES:
OCC1OC(C(C1NC(=O)C(Cc1ccc(cc1)OC)N)O)n1cnc2c1ncnc2N(C)C.Cl
InChI:
InChI=1S/C22H29N7O5.ClH/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);1H
InChIKey:
MXJUOYXSYWPMAR-UHFFFAOYSA-N
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Cite this record
CBID:105806 http://www.chembase.cn/molecule-105806.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-amino-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}-3-(4-methoxyphenyl)propanamide hydrochloride
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IUPAC Traditional name
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Synonyms
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Stylomycin
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PUROMYCIN DIHYDROCHLORIDE
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CAS Number
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EC Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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12.349177
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H Acceptors
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10
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H Donor
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4
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LogD (pH = 5.5)
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-2.8206933
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LogD (pH = 7.4)
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-1.0225005
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Log P
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-0.29873976
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Molar Refractivity
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122.9609 cm3
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Polarizability
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47.873817 Å3
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Polar Surface Area
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160.88 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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false
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
Storage Condition
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0°C
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Show
data source
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RTECS
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AU7355000
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Show
data source
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MSDS Link
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DETAILS
DETAILS
MP Biomedicals
MP Biomedicals -
02194539
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Cell Culture Reagent Dihydrochloride Crystalline Antimicrobial Causes premature chain termination in protein synthesis, and is an inhibitor of aminopeptidase and enkephalinase. |
PATENTS
PATENTS
PubChem Patent
Google Patent