ChemSpider 2D Image | (3R,4Z,6Z,8E)-3-Hydroxy-N-{(2E,4E,6R,7R,9S)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]oct-8-yl]-9-methoxy-7-methyl-2,4-nonadien-1-yl}-2,2,4-trimethyl-10-(1,3- oxazol-5-yl)-4,6,8-decatrienamide | C36H51N3O9

(3R,4Z,6Z,8E)-3-Hydroxy-N-{(2E,4E,6R,7R,9S)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]oct-8-yl]-9-methoxy-7-methyl-2,4-nonadien-1-yl}-2,2,4-trimethyl-10-(1,3- oxazol-5-yl)-4,6,8-decatrienamide

  • Molecular FormulaC36H51N3O9
  • Average mass669.805 Da
  • Monoisotopic mass669.362549 Da
  • ChemSpider ID8115269

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3R,4Z,6Z,8E)-3-Hydroxy-N-{(2E,4E,6R,7R,9S)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]oct-8-yl]-9-methoxy-7-methyl-2,4-nonadien-1-yl}-2,2,4-trimethyl-10-(1,3- oxazol-5-yl)-4,6,8-decatrienamid [German] [ACD/IUPAC Name]
(3R,4Z,6Z,8E)-3-Hydroxy-N-{(2E,4E,6R,7R,9S)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]oct-8-yl]-9-methoxy-7-methyl-2,4-nonadien-1-yl}-2,2,4-trimethyl-10-(1,3- oxazol-5-yl)-4,6,8-decatrienamide [ACD/IUPAC Name]
(3R,4Z,6Z,8E)-3-Hydroxy-N-{(2E,4E,6R,7R,9S)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-triméthyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]oct-8-yl]-9-méthoxy-7-méthyl-2,4-nonadién-1-yl}-2,2,4-triméthyl-10-(1,3- oxazol-5-yl)-4,6,8-décatriénamide [French] [ACD/IUPAC Name]
4,6,8-Decatrienamide, 3-hydroxy-N-[(2E,4E,6R,7R,9S)-6-hydroxy-9-[(1R,4S,7R,8S)-8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]oct-8-yl]-9-methoxy-7-methyl-2,4-nonadien-1-yl]-2,2,4-trimethyl- 10-(5-oxazolyl)-, (3R,4Z,6Z,8E)- [ACD/Index Name]
16-methyloxazolomycin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 884.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.7±3.0 kJ/mol
Flash Point: 488.8±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 180.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.14
ACD/KOC (pH 5.5): 388.98
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.14
ACD/KOC (pH 7.4): 388.97
Polar Surface Area: 172 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 542.5±5.0 cm3

Click to predict properties on the Chemicalize site


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