Basic information
- CAS
126990-49-6- Standard SMILES
CCCOC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C1O- InChIKey
DJCKAMCJNTUQIV-UHFFFAOYSA-N- Molecular formula
- C26H46O19
- Average molar mass
- 662.6 g/mol
- Monoisotopic mass
- 662.26332923
Overview
heterotetrasaccharide component of ristomycin A (ristocetin A); structure given in first source
Names & identifiers
- Preferred name
- Propyl alpha-ristotetraoside
- IUPAC
- 2-[[5-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-propoxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
- English name
- propyl alpha-ristotetraoside
- Molecular formula
- C26H46O19
- Molecular weight
- 662.64
Names & synonyms
Propyl alpha-ristotetraosidePARTT126990-49-6RefChem:176476propyl 6-deoxyhexopyranosyl-(1->6)-[pentofuranosyl-(1->2)hexopyranosyl-(1->2)]hexopyranosideAR-1L2409DTXSID10925755Propyl O-α-D-arabinofuranosyl-(1->2)-O-α-D-mannopyranosyl-(1->2)-O-α-L-rhamnopyranosyl-(1->6)-α-D-glucopyranosideα-D-Glucopyranoside, propyl O-α-D-arabinofuranosyl-(1→2)-O-α-D-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]- (9CI)
Database identifiers
- CAS
126990-49-6- PubChem CID
- 195508
- DTXSID
DTXSID10925755
Properties
Computed structural properties
- XLogP
- -5.4
- Topological polar surface area
- 296 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 902
Physicochemical properties
- Boiling point
- 948.6 · 948.6±65.0 °C(Predicted)
- Density
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- pka
- 12.83 · 12.83±0.70(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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