ChemSpider 2D Image | Reveromycin B | C36H52O11

Reveromycin B

  • Molecular FormulaC36H52O11
  • Average mass660.792 Da
  • Monoisotopic mass660.350952 Da
  • ChemSpider ID9040535

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2E,4S,5S,6E,8E)-10-[(2R,5S,7R,8S)-2-Butyl-2-{(1S,2E,4E)-5-carboxy-1-[(3-carboxypropanoyl)oxy]-4-methyl-2,4-pentadien-1-yl}-8-methyl-1,6-dioxaspiro[4.5]dec-7-yl]-5-hydroxy-4,8-dimethyl-2,6,8-decatrien oic acid [ACD/IUPAC Name]
(2E,4S,5S,6E,8E)-10-[(2R,5S,7R,8S)-2-Butyl-2-{(1S,2E,4E)-5-carboxy-1-[(3-carboxypropanoyl)oxy]-4-methyl-2,4-pentadien-1-yl}-8-methyl-1,6-dioxaspiro[4.5]dec-7-yl]-5-hydroxy-4,8-dimethyl-2,6,8-decatrien säure [German] [ACD/IUPAC Name]
(2E,4S,5S,6E,8E)-10-[(2R,5S,7R,8S)-2-Butyl-2-{(1S,2E,4E)-5-carboxy-1-[(3-carboxypropanoyl)oxy]-4-methylpenta-2,4-dien-1-yl}-8-methyl-1,6-dioxaspiro[4.5]dec-7-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
(2E,4S,5S,6E,8E)-10-[(2R,5S,7R,8S)-2-butyl-2-{(2E,4E)-5-carboxy-1-[(3-carboxypropanoyl)oxy]-4-methylpenta-2,4-dien-1-yl}-8-methyl-1,6-dioxaspiro[4.5]dec-7-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
144860-68-4 [RN]
Acide (2E,4S,5S,6E,8E)-10-[(2R,5S,7R,8S)-2-butyl-2-{(1S,2E,4E)-5-carboxy-1-[(3-carboxypropanoyl)oxy]-4-méthyl-2,4-pentadién-1-yl}-8-méthyl-1,6-dioxaspiro[4.5]déc-7-yl]-5-hydroxy-4,8-diméthyl-2,6,8-déc atriénoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(1S,2E,4E)-1-[(2R,5S,7R,8S)-2-butyl-7-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrien-1-yl]-8-methyl-1,6-dioxaspiro[4.5]dec-2-yl]-5-carboxy-4-methyl-2,4-penta dien-1-yl] ester [ACD/Index Name]
Butanedioic acid, mono[(1S,2E,4E)-1-[(2R,5S,7R,8S)-2-butyl-7-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrien-1-yl]-8-methyl-1,6-dioxaspiro[4.5]dec-2-yl]-5-carboxy-4-methyl-2,4-pentadien-1-yl] ester
butanedioic acid, mono[(2E,4E)-1-[(2R,5S,7R,8S)-2-butyl-7-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrien-1-yl]-8-methyl-1,6-dioxaspiro[4.5]dec-2-yl]-5-carboxy-4-methyl-2,4-pentadien-1-yl] ester
Reveromycin B
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 849.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.3±6.0 kJ/mol
Flash Point: 258.7±27.8 °C
Index of Refraction: 1.561
Molar Refractivity: 175.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 1.53
ACD/KOC (pH 5.5): 5.88
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 542.2±5.0 cm3

Click to predict properties on the Chemicalize site


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