6-Tuliposide A
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Basic information
- CAS
19870-31-6- Standard SMILES
C=C(CCO)C(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
NABVFHUVYXEKSQ-ZBGLXGBJSA-N- Molecular formula
- C11H18O8
- Average molar mass
- 278.26 g/mol
- Monoisotopic mass
- 278.10016753
Overview
from Alstroemeria ligtu L.; structure given in first source; RN given from Chem Abstr. Index Guide 1985; RN not Chemline 9/85
Names & identifiers
- Preferred name
- 6-Tuliposide A
- IUPAC
- [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate
- English name
- 6-tuliposide A
- Molecular formula
- C11H18O8
- Molecular weight
- 278.26
Names & synonyms
6-Tuliposide A19870-31-66-(4-Hydroxy-2-methylenebutyryl)-D-glucopyranoseA67SXQ62FP[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoatebeta-D-Glucopyranose, 6-(4-hydroxy-2-methylenebutanoate)CHEBI:72781((2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl)methyl 4-hydroxy-2-methylidenebutanoateRefChem:1052946-O-(4-hydroxy-2-methylenebutanoyl)-D-glucopyranose6-O-(4-hydroxy-2-methylenebutanoyl)-D-glucoseUNII-A67SXQ62FP
Show more names
β-D-Glucopyranose 6-(4-hydroxy-2-methylenebutanoate)
SCHEMBL2730671DTXSID30941710LMSL05000002NS000939576-O-(4-Hydroxy-2-methylidenebutanoyl)hexopyranose6-O-(4-hydroxy-2-methylidenebutanoyl)-beta-D-glucopyranose
Database identifiers
- CAS
19870-31-6- PubChem CID
- 119077
- DTXSID
DTXSID30941710
Properties
Computed structural propertiesFilling in
- XLogP
- -2.4
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Experimental & physicochemical properties
LipidsLipids -> Saccharolipids [SL] -> Other acyl sugars [SL05]
Physicochemical properties
- Boiling point
- 546.7 · 546.7±50.0 °C(Predicted)
- Density
- 1.504 · 1.504±0.06 g/cm3(Predicted)
- pka
- 12.02 · 12.02±0.70(Predicted)
- FDA UNII
- 67 SXQ62FP · A67SXQ62FP
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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