ChemSpider 2D Image | monanchoramide B | C40H81NO5

monanchoramide B

  • Molecular FormulaC40H81NO5
  • Average mass656.075 Da
  • Monoisotopic mass655.611450 Da
  • ChemSpider ID65328933

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-16-methyl-2-heptadecanyl]docosanamid [German] [ACD/IUPAC Name]
(2R)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-16-methyl-2-heptadecanyl]docosanamide [ACD/IUPAC Name]
(2R)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-16-méthyl-2-heptadécanyl]docosanamide [French] [ACD/IUPAC Name]
Docosanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)-15-methylhexadecyl]-2-hydroxy-, (2R)- [ACD/Index Name]
monanchoramide B
Cer(t17:0(16Me)/22:0(2OH[R]))
N-(2R-hydroxydocosanoyl)-4R-hydroxy-16-methyl-heptadecasphinganine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 779.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.3±6.0 kJ/mol
Flash Point: 425.2±32.9 °C
Index of Refraction: 1.485
Molar Refractivity: 196.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: 15.05
ACD/LogD (pH 5.5): 12.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 110 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 686.6±3.0 cm3

Click to predict properties on the Chemicalize site


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