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Molecule
Ribostamycin Sulfate
CAS: 53797-35-6 · C17H36N4O14S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 53797-35-6
- Molecular Formula
- C17H36N4O14S
- Molecular Mass
- 552.56 g/mol
Identifiers
CAS Registry Number
53797-35-6
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 Key
RTCDDYYZMGGHOE-YMSVYGIHSA-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)/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+;/m1./s1
Names and Synonyms
- Ribostamycin Sulfate Synonym
- D-Streptamine, O-2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1→4)-O-[β-D-ribofuranosyl-(1→5)]-2-deoxy-, sulfate (1:?) Synonym
- D-Streptamine, O-2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1→4)-O-[β-D-ribofuranosyl-(1→5)]-2-deoxy-, sulfate (salt) Synonym
- Vistamycin sulfate Synonym
- Ribostamycin sulfate Synonym
- Ibistacin Synonym
- Ribostamin Synonym
- Mandamycine Synonym
- Ribomycine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 552.56 g/mol | CAS Common Chemistry |
| 552.5560000000003 g/mol | RDKit | |
| 552.556 g/mol | RDKit | |
| 552.549 g/mol | chempirical lib | |
| 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 |
| 336.98 Ų | RDKit | |
| 368.98 Ų | chempirical lib | |
| LogP | -7.30510000000001 | RDKit |
| -7.3051 | RDKit | |
| Molar Refractivity | 115.96280000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 552.194872832 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 552.56 g/mol. Edit any field — others recompute live.
