ChemSpider 2D Image | (5S)-2,3-Anhydro-4-deoxy-5-{(1S)-1-[(4bR,6R,6aR,10aR,10bS)-6,6a-dihydroxy-10a-methyl-10-oxo-4b,5,6,6a,7,10,10a,10b,11,12-decahydro-2-chrysenyl]ethyl}-alpha-L-erythro-pentopyranose | C26H32O6

(5S)-2,3-Anhydro-4-deoxy-5-{(1S)-1-[(4bR,6R,6aR,10aR,10bS)-6,6a-dihydroxy-10a-methyl-10-oxo-4b,5,6,6a,7,10,10a,10b,11,12-decahydro-2-chrysenyl]ethyl}-α-L-erythro-pentopyranose

  • Molecular FormulaC26H32O6
  • Average mass440.529 Da
  • Monoisotopic mass440.219879 Da
  • ChemSpider ID23326364

  • 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-[(4bR,6R,6aR,10aR,10bS)-6,6a-dihydroxy-10a-methyl-10-oxo-4b,5,6,6a,7,10,10a,10b,11,12-decahydro-2-chrysenyl]ethyl}-α-L-erythro-pentopyranose [ACD/IUPAC Name]
(5S)-2,3-Anhydro-4-desoxy-5-{(1S)-1-[(4bR,6R,6aR,10aR,10bS)-6,6a-dihydroxy-10a-methyl-10-oxo-4b,5,6,6a,7,10,10a,10b,11,12-decahydro-2-chrysenyl]ethyl}-α-L-erythro-pentopyranose [German] [ACD/IUPAC Name]
(5S)-2,3-Anhydro-4-désoxy-5-{(1S)-1-[(4bR,6R,6aR,10aR,10bS)-6,6a-dihydroxy-10a-méthyl-10-oxo-4b,5,6,6a,7,10,10a,10b,11,12-décahydro-2-chrysényl]éthyl}-α-L-érythro-pentopyranose [French] [ACD/IUPAC Name]
β-D-manno-Heptopyranose, 2,3-anhydro-6-[(4bR,6R,6aR,10aR,10bS)-4b,5,6,6a,7,10,10a,10b,11,12-decahydro-6,6a-dihydroxy-10a-methyl-10-oxo-2-chrysenyl]-4,6,7-trideoxy- [ACD/Index Name]
2,3-anhydro-4,6,7-trideoxy-6-[(4bR,6R,6aR,10aR,10bS)-6,6a-dihydroxy-10a-methyl-10-oxo-4b,5,6,6a,7,10,10a,10b,11,12-decahydrochrysen-2-yl]-β-D-manno-heptopyranose
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL470235/
Salpichrolide C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 621.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 210.6±25.0 °C
Index of Refraction: 1.642
Molar Refractivity: 116.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.40
ACD/KOC (pH 5.5): 391.41
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.40
ACD/KOC (pH 7.4): 391.41
Polar Surface Area: 100 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 323.9±3.0 cm3

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