ChemSpider 2D Image | onnamide A | C39H63N5O12

onnamide A

  • Molecular FormulaC39H63N5O12
  • Average mass793.944 Da
  • Monoisotopic mass793.447327 Da
  • ChemSpider ID8548572

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S)-5-[(Diaminomethylen)amino]-2-({(2E,4E,6E,11R)-11-hydroxy-12-[(4S,4aS,6R,8S,8aR)-4-({(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylentetrahydro-2H-pyran-2-yl]acetyl}amino)-8-methoxy- 7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-6-yl]-2,4,6-dodecatrienoyl}amino)pentansäure [German] [ACD/IUPAC Name]
(2S)-5-[(Diaminomethylene)amino]-2-({(2E,4E,6E,11R)-11-hydroxy-12-[(4S,4aS,6R,8S,8aR)-4-({(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyran-2-yl]acetyl}amino)-8-methox y-7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-6-yl]-2,4,6-dodecatrienoyl}amino)pentanoic acid [ACD/IUPAC Name]
115204-07-4 [RN]
Acide (2S)-5-[(diaminométhylène)amino]-2-({(2E,4E,6E,11R)-11-hydroxy-12-[(4S,4aS,6R,8S,8aR)-4-({(2S)-2-hydroxy-2-[(2R,5R,6R)-2-méthoxy-5,6-diméthyl-4-méthylènetétrahydro-2H-pyran-2-yl]acétyl}amino)-8- méthoxy-7,7-diméthylhexahydropyrano[3,2-d][1,3]dioxin-6-yl]-2,4,6-dodecatrienoyl}amino)pentanoïque [French] [ACD/IUPAC Name]
N2-[(2E,4E,6E,11R)-12-[(4S,4aS,6R,8S,8aR)-Hexahydro-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2H-pyran-2-yl]acetyl]amino]-8-methoxy-7,7-dimethylpyrano[3,2-d]-1,3-dioxin-6-yl]-11-hydroxy-1-oxo-2,4,6-dodecatrien-1-yl]-L-arginine
onnamide A
Onnamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.575
Molar Refractivity: 200.9±0.5 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 3.67
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 256 Å2
Polarizability: 79.6±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 607.8±7.0 cm3

Click to predict properties on the Chemicalize site


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