Found 7 results

Search term: YTWDSZAPPKUSFS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,2S,4R,5R,8R,9S,11R)-2-{[(6-Deoxy-beta-D-altropyranosyl)oxy]methyl}-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.0~2,11~.0~4,8~]tridec-12-ene-1-carboxylate | C26H37O8

(1R,2S,4R,5R,8R,9S,11R)-2-{[(6-Deoxy-β-D-altropyranosyl)oxy]methyl}-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylate

  • Molecular FormulaC26H37O8
  • Average mass477.568 Da
  • Monoisotopic mass477.249390 Da
  • ChemSpider ID128919905

  • Charge - Charge

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,2S,4R,5R,8R,9S,11R)-2-{[(6-Deoxy-β-D-altropyranosyl)oxy]methyl}-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylate [ACD/IUPAC Name]
(1R,2S,4R,5R,8R,9S,11R)-2-{[(6-Desoxy-β-D-altropyranosyl)oxy]methyl}-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-en-1-carboxylat [German] [ACD/IUPAC Name]
(1R,2S,4R,5R,8R,9S,11R)-2-{[(6-Désoxy-β-D-altropyranosyl)oxy]méthyl}-9-formyl-13-isopropyl-5-méthyltétracyclo[7.4.0.02,11.04,8]tridéc-12-ène-1-carboxylate [French] [ACD/IUPAC Name]
1,4-Methano-s-indacene-3a(1H)-carboxylic acid, 8a-[[(6-deoxy-β-D-altropyranosyl)oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-, ion(1-), (1R,3aR,4S,4aR,7R,7aR,8aS)- [ACD/Index Name]
(1R,3aR,4S,4aR,7R,7aR,8aS)-8a-{[(6-deoxy-β-D-altropyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylate
4'-O-demethylsordarin
4'-O-demethylsordarin(1-)
  • Miscellaneous

    • Chemical Class:

      A 3-oxo monocarboxylic acid anion that is the conjugate base of 4'-O-demethylsordarin, arising from deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:140233

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

Density:
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:
Molar Refractivity:
#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: 136 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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