Found 1 result

Search term: MRKCPMGQBNMKTA-GBRHIFDWSA-M (Found by InChIKey (full match))

ChemSpider 2D Image | (3R,5R)-3,5-Dihydroxy-7-[(1R,2R,3S,6R,8aR)-3-hydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]heptanoate | C19H31O5

(3R,5R)-3,5-Dihydroxy-7-[(1R,2R,3S,6R,8aR)-3-hydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]heptanoate

  • Molecular FormulaC19H31O5
  • Average mass339.447 Da
  • Monoisotopic mass339.217712 Da
  • ChemSpider ID34448530
  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3R,5R)-3,5-Dihydroxy-7-[(1R,2R,3S,6R,8aR)-3-hydroxy-2,6-diméthyl-1,2,3,5,6,7,8,8a-octahydro-1-naphtalényl]heptanoate [French] [ACD/IUPAC Name]
(3R,5R)-3,5-Dihydroxy-7-[(1R,2R,3S,6R,8aR)-3-hydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]heptanoate [ACD/IUPAC Name]
(3R,5R)-3,5-Dihydroxy-7-[(1R,2R,3S,6R,8aR)-3-hydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalinyl]heptanoat [German] [ACD/IUPAC Name]
1-Naphthaleneheptanoic acid, 1,2,3,5,6,7,8,8a-octahydro-β,δ,3-trihydroxy-2,6-dimethyl-, ion(1-), (βR,δR,1R,2R,3S,6R,8aR)- [ACD/Index Name]
(3R,5R)-3,5-dihydroxy-7-[(1R,2R,3S,6R,8aR)-3-hydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]heptanoate
3α-hydroxy-3,5-dihydromonacolin L carboxylate
  • Miscellaneous
    • Chemical Class:

      A hydroxy monocarboxylic acid anion that is the conjugate base of 3alpha-hydroxy-3,5-dihydromonacolin L acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:79036

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

Density:
Boiling Point: 567.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.8±6.0 kJ/mol
Flash Point: 310.9±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 2.14
ACD/KOC (pH 5.5): 25.45
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






Advertisement