ChemSpider 2D Image | (5S)-2,3-Anhydro-4-deoxy-5-{(1S)-1-[(4aR,5aS,6aR,12aS,12bR)-7-hydroxy-12b-methyl-1-oxo-1,5a,6,6a,11,12,12a,12b-octahydro-4H-chryseno[6,6a-b]oxiren-9-yl]ethyl}-alpha-L-erythro-pentopyranose | C26H30O6

(5S)-2,3-Anhydro-4-deoxy-5-{(1S)-1-[(4aR,5aS,6aR,12aS,12bR)-7-hydroxy-12b-methyl-1-oxo-1,5a,6,6a,11,12,12a,12b-octahydro-4H-chryseno[6,6a-b]oxiren-9-yl]ethyl}-α-L-erythro-pentopyranose

  • Molecular FormulaC26H30O6
  • Average mass438.513 Da
  • Monoisotopic mass438.204254 Da
  • ChemSpider ID23326365
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5S)-2,3-Anhydro-4-deoxy-5-{(1S)-1-[(4aR,5aS,6aR,12aS,12bR)-7-hydroxy-12b-methyl-1-oxo-1,5a,6,6a,11,12,12a,12b-octahydro-4H-chryseno[6,6a-b]oxiren-9-yl]ethyl}-α-L-erythro-pentopyranose [ACD/IUPAC Name]
(5S)-2,3-Anhydro-4-desoxy-5-{(1S)-1-[(4aR,5aS,6aR,12aS,12bR)-7-hydroxy-12b-methyl-1-oxo-1,5a,6,6a,11,12,12a,12b-octahydro-4H-chryseno[6,6a-b]oxiren-9-yl]ethyl}-α-L-erythro-pentopyranose [German] [ACD/IUPAC Name]
(5S)-2,3-Anhydro-4-désoxy-5-{(1S)-1-[(4aR,5aS,6aR,12aS,12bR)-7-hydroxy-12b-méthyl-1-oxo-1,5a,6,6a,11,12,12a,12b-octahydro-4H-chryséno[6,6a-b]oxirén-9-yl]éthyl}-α-L-érythro-pentopyranose [French] [ACD/IUPAC Name]
β-D-manno-Heptopyranose, 2,3-anhydro-4,6,7-trideoxy-6-[(4aR,5aS,6aR,12aS,12bR)-1,5a,6,6a,11,12,12a,12b-octahydro-7-hydroxy-12b-methyl-1-oxo-4H-chryseno[6,6a-b]oxiren-9-yl]- [ACD/Index Name]
2,3-anhydro-4,6,7-trideoxy-6-[(4aR,5aS,6aR,12aS,12bR)-7-hydroxy-12b-methyl-1-oxo-1,5a,6,6a,11,12,12a,12b-octahydro-4H-chryseno[6,6a-b]oxiren-9-yl]-β-D-manno-heptopyranose
salpichrolide G

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 606.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 207.0±25.0 °C
Index of Refraction: 1.663
Molar Refractivity: 115.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.97
ACD/KOC (pH 5.5): 434.10
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.89
ACD/KOC (pH 7.4): 433.05
Polar Surface Area: 92 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 311.0±5.0 cm3

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