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1405-10-3 molecular structure
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5-amino-2-(aminomethyl)-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)oxane-3,4-diol; tris(sulfuric acid)

ChemBase ID: 102195
Molecular Formular: C23H52N6O25S3
Molecular Mass: 908.87918
Monoisotopic Mass: 908.21442419
SMILES and InChIs

SMILES:
NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
Canonical SMILES:
OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OCC1OC(C(C1OC1OC(CN)C(C(C1N)O)O)O)OC1C(O)C(N)CC(C1OC1OC(CN)C(C(C1N)O)O)N
InChI:
InChI=1S/C23H46N6O13.3H2O4S/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;3*1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;3*(H2,1,2,3,4)
InChIKey:
KWBUARAINLGYMG-UHFFFAOYSA-N

Cite this record

CBID:102195 http://www.chembase.cn/molecule-102195.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-amino-2-(aminomethyl)-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)oxane-3,4-diol; tris(sulfuric acid)
IUPAC Traditional name
5-amino-2-(aminomethyl)-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)oxane-3,4-diol; tris(sulfuric acid)
Synonyms
Neomycin B sulfate
Bykomcyin
Endomixin
Fraquinol
Myacine
Neosulf
Neomix
NEOMYCIN SULFATE
CAS Number
1405-10-3
EC Number
215-773-1
PubChem SID
162088609
PubChem CID
44134844

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02100541 external link Add to cart Please log in.
Data Source Data ID
PubChem 44134844 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.291083  H Acceptors 19 
H Donor 13  LogD (pH = 5.5) -24.511583 
LogD (pH = 7.4) -15.933928  Log P -8.415177 
Molar Refractivity 135.9003 cm3 Polarizability 58.22208 Å3
Polar Surface Area 353.11 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
Room Temperature (15-30°C), Desiccate, Protect from light expand Show data source
RTECS
QP4375000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:36 expand Show data source
Safety Statements
S:26 expand Show data source
Purity
90-95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02100541 external link
Minimum 630 μg Neomycin/mg
White powder.
Approx. 90-95% Neomycin B.
Antibiotic, also used in tissue culture studies.
Can act as an inhibitor of protein biosynthesis.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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