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Ribostamycin Sulfate
CAS: 53797-35-6 | C17H36N4O14S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
53797-35-6
Molecular Formula:
C17H36N4O14S
Molecular Mass:
552.56 g/mol
Names and Synonyms:
Ribostamycin Sulfate
D-Streptamine, O-2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1→4)-O-[β-D-ribofuranosyl-(1→5)]-2-deoxy-, sulfate (1:?)
D-Streptamine, O-2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1→4)-O-[β-D-ribofuranosyl-(1→5)]-2-deoxy-, sulfate (salt)
Vistamycin sulfate
Ribostamycin sulfate
Ibistacin
Ribostamin
Mandamycine
Ribomycine
Identifiers:
SMILES:
NC[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O
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)/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+;/m1./s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 552.56 g/mol | CAS Common Chemistry |
| 552.5560000000003 g/mol | RDKit | |
| 552.194872832 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(O)O.OCC1OC(OC2C(O)C(N)CC(N)C2OC3OC(CN)C(O)C(O)C3N)C(O)C1O | CAS Common Chemistry |
| 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)/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RTCDDYYZMGGHOE-YMSVYGIHSA-N | CAS Common Chemistry |
| Name | Ribostamycin sulfate | CAS Common Chemistry |
| Heavy Atom Count | 36 | RDKit |
| Hydrogen Bond Acceptors | 16 | RDKit |
| Hydrogen Bond Donors | 12 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 336.9800000000001 Ų | RDKit |
| LogP | -7.30510000000001 | RDKit |
| Molar Refractivity | 115.96280000000003 | RDKit |
