4,6-Diaminocyclohexane-1,2,3-triol
Basic information
- CAS
2037-48-1- Standard SMILES
NC1CC(N)C(O)C(O)C1O- InChIKey
DTFAJAKTSMLKAT-UHFFFAOYSA-N- Molecular formula
- C6H14N2O3
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.10044231
Overview
4,6-diaminocyclohexane-1,2,3-triol has been reported in Streptomyces lividans, Streptomyces fradiae, and Streptomyces kanamyceticus with data available.
Names & identifiers
- Preferred name
- 4,6-Diaminocyclohexane-1,2,3-triol
- IUPAC
- 4,6-diaminocyclohexane-1,2,3-triol
- English name
- 2-Deoxystreptamine, dihydrobromide
- Molecular formula
- C6H14N2O3
- Molecular weight
- 162.19
Names & synonyms
4,6-diaminocyclohexane-1,2,3-triolNSC-156938SCHEMBL11044942NSC1569381,3-Cyclohexanetriol, 4,6-diamino-1,3-Diamino-4,5,6-trihydroxycyclohexanecyclohexane, 4,6-diamino-1,2,3-trihydroxy- -DeoxystreptamineGentamicin sulfate EP Impurity EStreptamine, 2-deoxy-2-Deoxystreptamine2HBr2-DEOXY-1,3-MYO-INOSADIAMINE
Show more names
2-Deoxystreptamine, dihydrobromideGentamicin Sulfate EP Impurity E DiHBrGentaMycin IMpurity E (2-DeoxystreptaMine)Gentamicin Sulfate EP Impurity E (2-Deoxystreptamine)(1R,2r,3S,4R,6S)-4,6-Diaminocyclohexane-1,2,3-triol (Gentamicin Sulfate Impurity)
Database identifiers
- CAS
2037-48-1- PubChem CID
- 98959
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 273 · 273-278°C
- Boiling point
- 310.1 · 310.1±42.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Methanol (Slightly, Heated), Water (Slightly)
- form
- Solid
- pka
- 13 · 13+-.0.70(Predicted)
- color
- White
- LogP
- -2.163 · -2.163 (est)
- CAS DataBase Reference
- 2037 · 2037-48-1
- FDA UNII
- 88 VD0X96M · M88VD0X96M
Chemistry & industry
Applications
UsesAn important component of several aminocyclitol antibiotics
Additional notes
DefinitionChEBI: An amino cyclitol consisting of scyllo-inositol with the hydroxy groups at positions 1 and 3 replaced by unsubstituted amino groups and that at position 2 replaced by hydrogen.
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Compound notes
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