D-Streptamine, O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1-2-3)-O-beta-D-mannoypyranosyl-(1-5)-2-deoxy-N(sup 3)-methyl-
Basic information
- CAS
83378-70-5- Standard SMILES
CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]3OC4(O[C@H]23)O[C@H]([C@@H](N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O- InChIKey
GRRNUXAQVGOGFE-DEEZCPBCSA-N- Molecular formula
- C20H37N3O13
- Average molar mass
- 527.5 g/mol
- Monoisotopic mass
- 527.23263824
Names & identifiers
- Preferred name
- D-Streptamine, O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1-2-3)-O-beta-D-mannoypyranosyl-(1-5)-2-deoxy-N(sup 3)-methyl-
- IUPAC
- (3'R,3aS,4S,4'S,5'R,6R,6'R,7R,7aS)-4-[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol
- English name
- (+)-5-O-[2-O,3-O-[6-Amino-1,6-dideoxy-L-glycero-D-galacto-heptopyranose-1-ylidene]-β-D-manno-hexopyranosyl]-N'-methyl-2-deoxy-D-streptamine
- Molecular formula
- C20H37N3O13
- Molecular weight
- 527.52008
Names & synonyms
D-Streptamine, O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1-2-3)-O-beta-D-mannoypyranosyl-(1-5)-2-deoxy-N(sup 3)-methyl-83378-70-5RefChem:1082927Antibiotic RH 5012CRH 5012CRH-5012CAntibiotic RH-5012CD-Streptamine, O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1→2-3)-O-β-D-mannopyranosyl-(1→5)-2-deoxy-N3-methyl- (9CI)(+)-5-O-[2-O,3-O-[6-Amino-1,6-dideoxy-L-glycero-D-galacto-heptopyranos-1-ylidene]-β-D-manno-hexopyranosyl]-N'-methyl-2-deoxy-D-streptamine(+)-5-O-[2-O,3-O-[6-Amino-1,6-dideoxy-L-glycero-D-galacto-heptopyranose-1-ylidene]-β-D-manno-hexopyranosyl]-N'-methyl-2-deoxy-D-streptamine
Database identifiers
- CAS
83378-70-5- PubChem CID
- 3068367
- Nikkaji
- J135.700J
Properties
Computed structural properties
- XLogP
- -6.6
- Topological polar surface area
- 272 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 756
Physicochemical properties
- Boiling point
- 897.6 · 897.6±65.0 °C(Predicted)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- pka
- 12.53 · 12.53±0.10(Predicted)
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Compound notes
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