Basic information
- CAS
120634-86-8- Standard SMILES
CCCCCCCc1cc(O)cc(OC(=O)c2c(CCCCCCC)cc(O)cc2O[C@@H]2OC([C@H](O)CO)[C@H](O)[C@H]2O)c1- InChIKey
MPAXORHHSMKMHV-ZUSOEIMYSA-N- Molecular formula
- C33H48O10
- Average molar mass
- 604.7 g/mol
- Monoisotopic mass
- 604.32474772
Overview
KS-501 is a carbonyl compound.
Names & identifiers
- Preferred name
- KS 501
- IUPAC
- (3-heptyl-5-hydroxyphenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoate
- English name
- KS 501
- Molecular formula
- C33H48O10
- Molecular weight
- 604.73
Names & synonyms
KS-501(3-heptyl-5-hydroxyphenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoate120634-86-8KS 501Benzoic acid, 2-(beta-D-galactofuranosyloxy)-6-heptyl-4-hydroxy-, 3-heptyl-5-hydroxyphenyl ester(3-heptyl-5-hydroxyphenyl) 2-((2S,3R,4R)-5-((1R)-1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl)oxy-6-heptyl-4-hydroxybenzoateRefChem:151480SCHEMBL29479893DTXSID80923506CHEBI:221792MPAXORHHSMKMHV-ZUSOEIMYSA-N(3-heptyl-5-hydroxyphenyl) 2-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoate
Show more names
2-(β-D-Galactofuranosyloxy)-6-heptyl-4-hydroxybenzoic acid 3-heptyl-5-hydroxyphenyl esterBenzoic acid, 2-(β-D-galactofuranosyloxy)-6-heptyl-4-hydroxy-, 3-heptyl-5-hydroxyphenyl ester
3-Heptyl-5-hydroxyphenyl 2-heptyl-6-(hexofuranosyloxy)-4-hydroxybenzoate3-Heptyl-5-hydroxyphenyl 2-heptyl-6-{[(4xi)-beta-D-xylo-hexofuranosyl]oxy}-4-hydroxybenzoate
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 19
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 783
Physicochemical properties
- Boiling point
- 821.7 · 821.7±65.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 7.53 · 7.53±0.25(Predicted)
Chemistry & industry
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
1 records
Compound notes
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