Basic information
- CAS
4166-78-3- Standard SMILES
CC1CC(N(C)C)C(O)C(OC2C(C)CC3(CO3)C(=O)C(C)C(O)C(C)C(C)OC(=O)C(C)C(O)C2C)O1- InChIKey
NTKKUEDJAPFWRV-UHFFFAOYSA-N- Molecular formula
- C28H49NO9
- Average molar mass
- 543.7 g/mol
- Monoisotopic mass
- 543.34073214
Overview
structure given in first source; shows no antibacterial activity
Names & identifiers
- Preferred name
- Deoleandrosyl-oleandomycin
- IUPAC
- 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione
- English name
- deoleandrosyl-oleandomycin
- Molecular formula
- C28H49NO9
- Molecular weight
- 543.68996
Names & synonyms
Deoleandrosyl-oleandomycin4166-78-3RefChem:131886DesoleandomycinOleandomycin, 3-O-de(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-Xylopyranoside, 6R,12S-dihydroxy-5S,7S,8R,11R,13R,15R-hexamethyl-4,10-dioxo-1,9-dioxaspiro(2,13)hexadec-14R-yl 3,4,6-trideoxy-3-(dimethylamino)-, betaD-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dioneDTXSID809618876,12-Dihydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro[2.13]hexadecan-14-yl 3,4,6-trideoxy-3-(dimethylamino)hexopyranosideOleandomycin, 3-O-de(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)- (9CI)
Database identifiers
- CAS
4166-78-3- PubChem CID
- 3082016
- DTXSID
DTXSID80961887
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 839
Physicochemical properties
- Melting point
- 116 · 116-118 °C
- Boiling point
- 707 · 707.0±60.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 13.49 · 13.49±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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