Found 7 results

Search term: MF = 'C_{40}H_{66}N_{2}O_{8}'
ChemSpider 2D Image | (3beta,9beta,15alpha,16alpha,23R,24S)-3-({(2S)-4-[2-(Dimethylamino)-2-oxoethyl]-2-morpholinyl}oxy)-15,25-dihydroxy-16,23-epoxy-9,19-cyclolanostan-24-yl acetate | C40H66N2O8

(3β,9β,15α,16α,23R,24S)-3-({(2S)-4-[2-(Dimethylamino)-2-oxoethyl]-2-morpholinyl}oxy)-15,25-dihydroxy-16,23-epoxy-9,19-cyclolanostan-24-yl acetate

  • Molecular FormulaC40H66N2O8
  • Average mass702.961 Da
  • Monoisotopic mass702.481934 Da
  • ChemSpider ID28664544

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,9β,15α,16α,23R,24S)-3-({(2S)-4-[2-(Dimethylamino)-2-oxoethyl]-2-morpholinyl}oxy)-15,25-dihydroxy-16,23-epoxy-9,19-cyclolanostan-24-yl acetate [ACD/IUPAC Name]
(3β,9β,15α,16α,23R,24S)-3-({(2S)-4-[2-(Dimethylamino)-2-oxoethyl]-2-morpholinyl}oxy)-15,25-dihydroxy-16,23-epoxy-9,19-cyclolanostan-24-yl-acetat [German] [ACD/IUPAC Name]
4-Morpholineacetamide, 2-[[(3β,9β,15α,16α,23R,24S)-24-(acetyloxy)-16,23-epoxy-15,25-dihydroxy-9,19-cyclolanostan-3-yl]oxy]-N,N-dimethyl-, (2S)- [ACD/Index Name]
Acétate de (3β,9β,15α,16α,23R,24S)-3-({(2S)-4-[2-(diméthylamino)-2-oxoéthyl]-2-morpholinyl}oxy)-15,25-dihydroxy-16,23-époxy-9,19-cyclolanostan-24-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 772.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.2±6.0 kJ/mol
Flash Point: 420.9±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 190.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2127.11
ACD/KOC (pH 5.5): 8065.43
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2436.68
ACD/KOC (pH 7.4): 9239.25
Polar Surface Area: 118 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 581.1±5.0 cm3

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