ChemSpider 2D Image | Laidlomycin | C37H62O12

Laidlomycin

  • Molecular FormulaC37H62O12
  • Average mass698.881 Da
  • Monoisotopic mass698.424133 Da
  • ChemSpider ID28645421

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(2S,3R,4R)-4-[(2S,5R,7S,8R,9S)-9-Hydroxy-2-{(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2,3'-dimethyloctahydro-2,2'-bifuran-5-yl}-2,8-dimeth yl-1,6-dioxaspiro[4.5]dec-7-yl]-2-methyl-3-(propionyloxy)pentanoic acid [ACD/IUPAC Name]
(2S,3R,4R)-4-[(2S,5R,7S,8R,9S)-9-Hydroxy-2-{(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2,3'-dimethyloctahydro-2,2'-bifuran-5-yl}-2,8-dimeth yl-1,6-dioxaspiro[4.5]dec-7-yl]-2-methyl-3-(propionyloxy)pentansäure [German] [ACD/IUPAC Name]
1,6-Dioxaspiro[4.5]decane-7-butanoic acid, 9-hydroxy-α,γ,2,8-tetramethyl-2-[(2S,2'R,3'S,5R,5'R)-octahydro-2,3'-dimethyl-5'-[(2S,3S,5R,6R)-tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H -pyran-2-yl][2,2'-bifuran]-5-yl]-β-(1-oxopropoxy)-, (αS,βR,γR,2S,5R,7S,8R,9S)- [ACD/Index Name]
Acide (2S,3R,4R)-4-[(2S,5R,7S,8R,9S)-9-hydroxy-2-{(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxyméthyl)-3,5-diméthyltétrahydro-2H-pyran-2-yl]-2,3'-diméthyloctahydro-2,2'-bifuran-5-yl}-2,8- diméthyl-1,6-dioxaspiro[4.5]déc-7-yl]-2-méthyl-3-(propionyloxy)pentanoïque [French] [ACD/IUPAC Name]
Laidlomycin
(2S,3R,4R)-4-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxypentanoic acid

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

6483 [DBID]
MI3S6ZF5QE [DBID]
UNII:MI3S6ZF5QE [DBID]
UNII-MI3S6ZF5QE [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: 791.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.1±6.0 kJ/mol
Flash Point: 235.6±26.4 °C
Index of Refraction: 1.548
Molar Refractivity: 179.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 8.13
ACD/KOC (pH 5.5): 55.74
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.09
Polar Surface Area: 170 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 565.5±5.0 cm3

Click to predict properties on the Chemicalize site


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