2-Hydroxygentamicin C1
Basic information
- CAS
60609-40-7- Standard SMILES
CNC(C)C1CCC(N)C(OC2C(N)C(O)C(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1- InChIKey
VAVZWASKZVXMFU-UHFFFAOYSA-N- Molecular formula
- C21H43N5O8
- Average molar mass
- 493.6 g/mol
- Monoisotopic mass
- 493.31116335
Names & identifiers
- Preferred name
- 2-Hydroxygentamicin C1
- IUPAC
- 2-[2,4-diamino-5-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
- English name
- D-Streptamine, O-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-α-D-ribo-heptopyranosyl-(1→4)-O-[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)]- (9CI)
- Molecular formula
- C21H43N5O8
- Molecular weight
- 493.6
Names & synonyms
2-Hydroxygentamicin C1Gentamicin C1, 2-hydroxy-2-Hydroxygentamicin C(sub 1)BRN 133349360609-40-7D-Streptamine, O-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-D-ribo-heptopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-RefChem:2618792,4-diamino-5-{[3-deoxy-4-c-methyl-3-(methylamino)pentopyranosyl]oxy}-3,6-dihydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)heptopyranosideorb3024403DTXSID50976049TN10518D-Streptamine, O-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-α-D-ribo-heptopyranosyl-(1→4)-O-[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)]- (9CI)
Database identifiers
- CAS
60609-40-7- PubChem CID
- 88112
- DTXSID
DTXSID50976049
Properties
Computed structural properties
- XLogP
- -5.1
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 667
Physicochemical properties
- Boiling point
- 706.2 · 706.2±60.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 13.17 · 13.17±0.70(Predicted)
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Compound notes
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