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Molecule
Paromomycin Sulfate
CAS: 1263-89-4 · C23H47N5O18S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1263-89-4
- Molecular Formula
- C23H47N5O18S
- Molecular Mass
- 713.71 g/mol
Identifiers
CAS Registry Number
1263-89-4
SMILES
NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O
InChI Key
LJRDOKAZOAKLDU-UDXJMMFXSA-N
InChI
InChI=1S/C23H45N5O14.H2O4S/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22;1-5(2,3)4/h5-23,29-36H,1-4,24-28H2;(H2,1,2,3,4)/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1
Names and Synonyms
- Paromomycin Sulfate Common Name
- D-Streptamine, O-2,6-diamino-2,6-dideoxy-β-L-idopyranosyl-(1→3)-O-β-D-ribofuranosyl-(1→5)-O-[2-amino-2-deoxy-α-D-glucopyranosyl-(1→4)]-2-deoxy-, sulfate (1:?) Synonym
- Humycin sulfate Synonym
- Paromomycin sulfate Synonym
- Aminosidine sulfate Synonym
- Aminosidin sulfate Synonym
- Humatin Synonym
- Gabbroral Synonym
- Sinosid Synonym
- Paramicina Synonym
- Farmiglucin Synonym
- Farminosidin Synonym
- Pargonyl Synonym
- Paricina Synonym
- Aminoxidin Synonym
- FI 5853 Synonym
- 1600 Antibiotic Synonym
- Humagel Synonym
- D-Streptamine, O-2,6-diamino-2,6-dideoxy-β-L-idopyranosyl-(1→3)-O-β-D-ribofuranosyl-(1→5)-O-[2-amino-2-deoxy-α-D-glucopyranosyl-(1→4)]-2-deoxy-, sulfate (salt) Synonym
- D-Streptamine, O-2-amino-2-deoxy-α-D-glucopyranosyl-(1→4)-O-[O-2,6-diamino-2,6-dideoxy-β-L-idopyranosyl-(1→3)-β-D-ribofuranosyl-(1→5)]-2-deoxy-, sulfate (salt) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 713.71 g/mol | CAS Common Chemistry |
| 713.7130000000005 g/mol | RDKit | |
| 713.713 g/mol | RDKit | |
| 713.706 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(O)O.OCC1OC(OC2C(OC3OC(CO)C(OC4OC(CN)C(O)C(O)C4N)C3O)C(O)C(N)CC2N)C(N)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C23H45N5O14.H2O4S/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22;1-5(2,3)4/h5-23,29-36H,1-4,24-28H2;(H2,1,2,3,4)/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LJRDOKAZOAKLDU-UDXJMMFXSA-N | CAS Common Chemistry |
| Melting Point | 145 °C (decomp) | CAS Common Chemistry |
| Name | Paromomycin sulfate | CAS Common Chemistry |
| Heavy Atom Count | 47 | RDKit |
| Hydrogen Bond Acceptors | 21 | RDKit |
| Hydrogen Bond Donors | 15 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 421.92 Ų | RDKit |
| 453.92 Ų | chempirical lib | |
| LogP | -9.514500000000016 | RDKit |
| -9.5145 | RDKit | |
| Molar Refractivity | 150.56480000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 713.263680664 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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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.
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MW = 713.71 g/mol. Edit any field — others recompute live.
