ChemSpider 2D Image | mycalamide B | C25H43NO10

mycalamide B

  • Molecular FormulaC25H43NO10
  • Average mass517.610 Da
  • Monoisotopic mass517.288696 Da
  • ChemSpider ID9235514

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S)-2-Hydroxy-N-{(4S,4aS,6R,8S,8aR)-6-[(2S)-3-hydroxy-2-methoxypropyl]-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-4-yl}-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyra n-2-yl]acetamide [ACD/IUPAC Name]
(2S)-2-Hydroxy-N-{(4S,4aS,6R,8S,8aR)-6-[(2S)-3-hydroxy-2-méthoxypropyl]-8-méthoxy-7,7-diméthylhexahydropyrano[3,2-d][1,3]dioxin-4-yl}-2-[(2R,5R,6R)-2-méthoxy-5,6-diméthyl-4-méthylènetétrahydro-2H-pyra n-2-yl]acétamide [French] [ACD/IUPAC Name]
(2S)-2-Hydroxy-N-{(4S,4aS,6R,8S,8aR)-6-[(2S)-3-hydroxy-2-methoxypropyl]-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-4-yl}-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylentetrahydro-2H-pyran -2-yl]acetamid [German] [ACD/IUPAC Name]
124512-46-5 [RN]
mycalamide B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL499036/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 654.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±6.0 kJ/mol
Flash Point: 349.4±31.5 °C
Index of Refraction: 1.525
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.27
ACD/KOC (pH 5.5): 320.85
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.27
ACD/KOC (pH 7.4): 320.84
Polar Surface Area: 134 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 424.6±5.0 cm3

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