2-Hydroxysagamicin
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Basic information
- CAS
77052-96-1- Standard SMILES
CNCC1CCC(N)C(OC2C(N)C(O)C(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1- InChIKey
IAMSXPNLUNHNQH-UHFFFAOYSA-N- Molecular formula
- C20H41N5O8
- Average molar mass
- 479.6 g/mol
- Monoisotopic mass
- 479.29551328
Overview
See also: 2-Hydroxysagamicin (annotation moved to).
Names & identifiers
- Preferred name
- 2-Hydroxysagamicin
- IUPAC
- 2-[2,4-diamino-5-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
- English name
- 2-hydroxysagamicin
- Molecular formula
- C20H41N5O8
- Molecular weight
- 479.57
Names & synonyms
2-Hydroxysagamicin77052-96-12-[2,4-diamino-5-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-3,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diolDTXSID00998332D-Streptamine, O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-, (2-xi)-2,4-diamino-5-{[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyl]oxy}-3,6-dihydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-(methylamino)hexopyranosideD-Streptamine, O-2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-α-D-erythro-hexopyranosyl-(1→4)-O-[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1→6)]-, (2ξ)- (9CI)
Database identifiers
- CAS
77052-96-1- PubChem CID
- 197215
- DTXSID
DTXSID00998332
Properties
Computed structural propertiesFilling in
- XLogP
- -5.5
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 637
Physicochemical properties
- Boiling point
- 705.3 · 705.3±60.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 13.17 · 13.17±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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