Found 24 results

Search term: MF = 'C_{36}H_{49}NO_{9}'
ChemSpider 2D Image | 4-{[(1R,2S,7R,8R)-2-{[(2R,3S,5S,8S,9S)-8-(3,5-Dihydroxyphenyl)-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undec-2-yl]methyl}-7-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbonyl}-2,5-dih ydroxy-1,2-dihydro-3H-pyrrol-3-one | C36H49NO9

4-{[(1R,2S,7R,8R)-2-{[(2R,3S,5S,8S,9S)-8-(3,5-Dihydroxyphenyl)-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undec-2-yl]methyl}-7-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbonyl}-2,5-dih ydroxy-1,2-dihydro-3H-pyrrol-3-one

  • Molecular FormulaC36H49NO9
  • Average mass639.776 Da
  • Monoisotopic mass639.340759 Da
  • ChemSpider ID435199

  • defined stereocentres - 9 of 13 defined stereocentres

More details:

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

3H-Pyrrol-3-one, 4-[[(1R,2S,7R,8R)-2-[[(2R,3S,5S,8S,9S)-8-(3,5-dihydroxyphenyl)-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undec-2-yl]methyl]-1,2,4a,5,6,7,8,8a-octahydro-7-hydroxy-3,8-dimethyl-1-naphthalenyl] carbonyl]-1,2-dihydro-2,5-dihydroxy- [ACD/Index Name]
4-{[(1R,2S,7R,8R)-2-{[(2R,3S,5S,8S,9S)-8-(3,5-Dihydroxyphényl)-3,5,9-triméthyl-1,7-dioxaspiro[5.5]undéc-2-yl]méthyl}-7-hydroxy-3,8-diméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl]carbonyl}-2,5-dihy droxy-1,2-dihydro-3H-pyrrol-3-one [French] [ACD/IUPAC Name]
4-{[(1R,2S,7R,8R)-2-{[(2R,3S,5S,8S,9S)-8-(3,5-Dihydroxyphenyl)-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undec-2-yl]methyl}-7-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbonyl}-2,5-dih ydroxy-1,2-dihydro-3H-pyrrol-3-one [ACD/IUPAC Name]
4-{[(1R,2S,7R,8R)-2-{[(2R,3S,5S,8S,9S)-8-(3,5-Dihydroxyphenyl)-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undec-2-yl]methyl}-7-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]carbonyl}-2,5-dih ydroxy-1,2-dihydro-3H-pyrrol-3-on [German] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 3-[[(1R,2S,7R,8R)-2-[[(2R,3S,5S,8S,9S)-8-(3,5-dihydroxyphenyl)-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undec-2-yl]methyl]-1,2,4a,5,6,7,8,8a-octahydro-7-hydroxy-3,8-dimethyl-1-naphthalenyl]carbonyl]-1,5-dihydro-4,5-dihydroxy-
Integramycin

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

AIDS154159 [DBID]
AIDS-154159 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 818.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.8±3.0 kJ/mol
Flash Point: 449.0±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 169.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 74.01
ACD/KOC (pH 5.5): 498.32
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 8.65
Polar Surface Area: 166 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 475.7±5.0 cm3

Click to predict properties on the Chemicalize site


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