ChemSpider 2D Image | Bromolasalocid | C34H53BrO8

Bromolasalocid

  • Molecular FormulaC34H53BrO8
  • Average mass669.684 Da
  • Monoisotopic mass668.292358 Da
  • ChemSpider ID4588417

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,9S)-1,5:6,9-dianhydro-9-[(3R,5S,6S,7R)-9-(6-bromo-2-carboxy-3-hydroxy-4-methylphenyl)-6-hydroxy-5,7-dimethyl-4-oxononan-3-yl]-3,4,7,8-tetradeoxy-6-ethyl-2-C-ethyl-1,8-dimethyl-D-galacto-nonitol
38784-08-6 [RN]
3-Brom-2-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydro-2-furanyl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-6-hydroxy-5-methylbenzo esäure [German] [ACD/IUPAC Name]
3-Bromo-2-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydro-2-furanyl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-6-hydroxy-5-methylbenz oic acid [ACD/IUPAC Name]
Acide 3-bromo-2-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-éthyl-5-[(2R,5R,6S)-5-éthyl-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-3-méthyltétrahydro-2-furanyl}-4-hydroxy-3,5-diméthyl-6-oxononyl]-6-hydroxy-5-méth ylbenzoïque [French] [ACD/IUPAC Name]
Bromolasalocid
D-galacto-Nonitol, 1,5:6,9-dianhydro-9-C-[(1R,3S,4S,5R)-7-(6-bromo-2-carboxy-3-hydroxy-4-methylphenyl)-1-ethyl-4-hydroxy-3,5-dimethyl-2-oxoheptyl]-3,4,7,8-tetradeoxy-2,6-di-C-ethyl-8-methyl-1-C-methyl -, (1S,9S)- [ACD/Index Name]
D-galacto-nonitol, 1,5:6,9-dianhydro-9-C-[(1R,3S,4S,5R)-7-(6-bromo-2-carboxy-3-hydroxy-4-methylphenyl)-1-ethyl-4-hydroxy-3,5-dimethyl-2-oxoheptyl]-3,4,7,8-tetradeoxy-2,6-di-C-ethyl-8-methyl-1-C-methyl-, (1S,9S)-
3-bromo-2-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-6-hydroxy-5-methylbenzoic acid
3-Bromo-2-{7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methyl-tetrahydro-pyran-2-yl)-3-methyl-tetrahydro-furan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxo-nonyl}-6-hydroxy-5-methyl-benzoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

TM60RNT0IA [DBID]
UNII:TM60RNT0IA [DBID]
UNII-TM60RNT0IA [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 760.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 413.5±32.9 °C
Index of Refraction: 1.539
Molar Refractivity: 170.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.60
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 128.77
ACD/KOC (pH 5.5): 153.24
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 102.32
ACD/KOC (pH 7.4): 121.75
Polar Surface Area: 134 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 543.9±3.0 cm3

Click to predict properties on the Chemicalize site


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