Found 7 results

Search term: YTWDSZAPPKUSFS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4R,5R,8R)-2-{[(6-Deoxyhexopyranosyl)oxy]methyl}-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.0~2,11~.0~4,8~]tridec-12-ene-1-carboxylic acid | C26H38O8

(4R,5R,8R)-2-{[(6-Deoxyhexopyranosyl)oxy]methyl}-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid

  • Molecular FormulaC26H38O8
  • Average mass478.575 Da
  • Monoisotopic mass478.256653 Da
  • ChemSpider ID78445433

  • defined stereocentres - 3 of 12 defined stereocentres

More details:

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

(4R,5R,8R)-2-{[(6-Deoxyhexopyranosyl)oxy]methyl}-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid [ACD/IUPAC Name]
(4R,5R,8R)-2-{[(6-Desoxyhexopyranosyl)oxy]methyl}-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-en-1-carbonsäure [German] [ACD/IUPAC Name]
1,4-Methano-s-indacene-3a(1H)-carboxylic acid, 8a-[[(6-deoxyhexopyranosyl)oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-, (4aR,7R,7aR)- [ACD/Index Name]
Acide (4R,5R,8R)-2-{[(6-désoxyhexopyranosyl)oxy]méthyl}-9-formyl-13-isopropyl-5-méthyltétracyclo[7.4.0.02,11.04,8]tridéc-12-ène-1-carboxylique [French] [ACD/IUPAC Name]
4'-O-demethylsordarin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±6.0 kJ/mol
Flash Point: 209.9±25.0 °C
Index of Refraction: 1.599
Molar Refractivity: 121.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 5.97
ACD/KOC (pH 5.5): 42.39
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 356.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement