ChemSpider 2D Image | Bistramide A | C40H68N2O8

Bistramide A

  • Molecular FormulaC40H68N2O8
  • Average mass704.977 Da
  • Monoisotopic mass704.497559 Da
  • ChemSpider ID4925750

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3R)-3-Hydroxy-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-hydroxy-3,5-dimethyl-4-hepten-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-2-methyl-4-[({(2S,3S,6R)-3-methyl-6-[(3E)-2-oxo-3-penten-1-yl]t etrahydro-2H-pyran-2-yl}acetyl)amino]butanamid [German] [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-hydroxy-3,5-dimethyl-4-hepten-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-2-methyl-4-[({(2S,3S,6R)-3-methyl-6-[(3E)-2-oxo-3-penten-1-yl]t etrahydro-2H-pyran-2-yl}acetyl)amino]butanamide [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-hydroxy-3,5-diméthyl-4-heptén-1-yl]-3-méthyl-1,7-dioxaspiro[5.5]undéc-2-yl}propyl)-2-méthyl-4-[(2-{(2S,3S,6R)-3-méthyl-6-[(3E)-2-oxo-3-pentén-1-yl ]tétrahydro-2H-pyran-2-yl}acétyl)amino]butanamide [French] [ACD/IUPAC Name]
(2S,3S,6R)-Tetrahydro-N-[(2R,3S)-2-hydroxy-4-[[3-[(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-hydroxy-3,5-dimethyl-4-hepten-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]propyl]amino]-3-methyl-4-oxobutyl]-3-methyl-6-[(3E)-2-oxo-3-penten-1-yl]-2H-pyran-2-acetamide
115566-02-4 [RN]
2H-Pyran-2-acetamide, tetrahydro-N-[(2R,3S)-2-hydroxy-4-[[3-[(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-hydroxy-3,5-dimethyl-4-hepten-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]propyl]amino]-3-methyl-4-oxobutyl] -3-methyl-6-[(3E)-2-oxo-3-penten-1-yl]-, (2S,3S,6R)- [ACD/Index Name]
Bistramide A [Wiki]
(2S,3R)-3-hydroxy-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-hydroxy-3,5-dimethylhept-4-en-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-2-methyl-4-[({(2S,3S,6R)-3-methyl-6-[(3E)-2-oxopent-3-en-1-yl]tetrahydro-2H-pyran-2-yl}acetyl)amino]butanamide
BID

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

Density: 1.1±0.1 g/cm3
Boiling Point: 875.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.6±6.0 kJ/mol
Flash Point: 483.4±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 196.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2459.46
ACD/KOC (pH 5.5): 9305.91
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2459.46
ACD/KOC (pH 7.4): 9305.91
Polar Surface Area: 143 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 634.0±5.0 cm3

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