2-Hydroxygentamicin C2
Basic information
- CAS
60768-15-2- Standard SMILES
CNC1C(O)C(OC2C(N)C(O)C(N)C(OC3OC(C(C)N)CCC3N)C2O)OCC1(C)O- InChIKey
NOLNTDUUBSKKFZ-UHFFFAOYSA-N- Molecular formula
- C20H41N5O8
- Average molar mass
- 479.6 g/mol
- Monoisotopic mass
- 479.29551328
Names & identifiers
- Preferred name
- 2-Hydroxygentamicin C2
- IUPAC
- 2-[2,4-diamino-5-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
- English name
- D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)-O-[2,6-diamino-2,3,4,6,7-pentadeoxy-α-D-ribo-heptopyranosyl-(1→4)]- (9CI)
- Molecular formula
- C20H41N5O8
- Molecular weight
- 479.58
Names & synonyms
2-Hydroxygentamicin C2BRN 140813260768-15-2D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-alpha-D-ribo-heptopyranosyl-(1-4))-RefChem:261880orb3024623DTXSID90976240TN102982,4-Diamino-5-{[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyl]oxy}-3,6-dihydroxycyclohexyl 2,6-diamino-2,3,4,6,7-pentadeoxyheptopyranosideD-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)-O-[2,6-diamino-2,3,4,6,7-pentadeoxy-α-D-ribo-heptopyranosyl-(1→4)]- (9CI)
Database identifiers
- CAS
60768-15-2- PubChem CID
- 3045457
- DTXSID
DTXSID90976240
Properties
Computed structural properties
- XLogP
- -5.6
- Topological polar surface area
- 234 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 652
Physicochemical properties
- Boiling point
- 714.6 · 714.6±60.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 13.17 · 13.17±0.70(Predicted)
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Compound notes
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