ChemSpider 2D Image | (2S,2'S)-2,2'-(1,7-Diethynyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diyl)bis[(diethylamino)acetic acid] | C34H52N2O4

(2S,2'S)-2,2'-(1,7-Diethynyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diyl)bis[(diethylamino)acetic acid]

  • Molecular FormulaC34H52N2O4
  • Average mass552.788 Da
  • Monoisotopic mass552.392700 Da
  • ChemSpider ID2331795

  • defined stereocentres - 2 of 10 defined stereocentres

More details:

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

(2S,2'S)-2,2'-(1,7-Diethinyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalin-1,7-diyl)bis[(diethylamino)essigsäure] [German] [ACD/IUPAC Name]
(2S,2'S)-2,2'-(1,7-Diethynyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diyl)bis[(diethylamino)acetic acid] [ACD/IUPAC Name]
Acide (2S,2'S)-2,2'-(1,7-diéthynyl-8a,10a-diméthylhexadécahydrodicyclopenta[a,f]naphtalène-1,7-diyl)bis[(diéthylamino)acétique] [French] [ACD/IUPAC Name]
Dicyclopenta[a,f]naphthalene-1,7-diacetic acid, α,α'-bis(diethylamino)-1,7-diethynylhexadecahydro-8a,10a-dimethyl-, (α1S,α7S)- [ACD/Index Name]
142546-50-7 [RN]
Glycine, N,N-diethyl-, (2β,5α,17α)-2-ethynyl-A-norpregn-20-yne-2,17-diyl ester
Glycine, N,N-diethyl-, (2-β,5-α,17-α)-2-ethynyl-A-norpregn-20-yne-2,17-diyl ester
N,N-Diethylglycine (2-β,5-α,17-α)-2-ethynyl-A-norpregn-20-yne-2,17-diyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 632.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 102.1±6.0 kJ/mol
Flash Point: 336.4±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 157.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 547.49
ACD/KOC (pH 5.5): 618.19
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 547.22
ACD/KOC (pH 7.4): 617.88
Polar Surface Area: 81 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 484.3±5.0 cm3

Click to predict properties on the Chemicalize site


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