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53797-35-6 molecular structure
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5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol; sulfuric acid

ChemBase ID: 104592
Molecular Formular: C17H36N4O14S
Molecular Mass: 552.55114
Monoisotopic Mass: 552.19487285
SMILES and InChIs

SMILES:
NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O.OS(=O)(=O)O
Canonical SMILES:
OS(=O)(=O)O.OCC1OC(C(C1O)O)OC1C(OC2OC(CN)C(C(C2N)O)O)C(N)CC(C1O)N
InChI:
InChI=1S/C17H34N4O10.H2O4S/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17;1-5(2,3)4/h4-17,22-27H,1-3,18-21H2;(H2,1,2,3,4)
InChIKey:
RTCDDYYZMGGHOE-UHFFFAOYSA-N

Cite this record

CBID:104592 http://www.chembase.cn/molecule-104592.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-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol; sulfuric acid
IUPAC Traditional name
ribostamycin; sulfuric acid
Synonyms
Landamycine
Ribomycine
Ribostamin
Ribostamycin Sulfate
SF 733 Antibiotic Sulfate
Vistamycin
RIBOSTAMYCIN SULFATE SALT
CAS Number
53797-35-6
EC Number
258-783-1
PubChem SID
162092286
PubChem CID
18469537

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02156543 external link Add to cart Please log in.
Data Source Data ID
PubChem 18469537 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.193866  H Acceptors 14 
H Donor 10  LogD (pH = 5.5) -17.199512 
LogD (pH = 7.4) -11.747448  Log P -6.4305787 
Molar Refractivity 100.172 cm3 Polarizability 42.763172 Å3
Polar Surface Area 262.38 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
2-8°C expand Show data source
RTECS
WK2300000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:36/37/38 expand Show data source
Safety Statements
S:20-25-26-37/39 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals

REFERENCES

REFERENCES

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PATENTS

PATENTS

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