ChemSpider 2D Image | (+)-2,3-Dehydroemetine | C29H38N2O4

(+)-2,3-Dehydroemetine

  • Molecular FormulaC29H38N2O4
  • Average mass478.623 Da
  • Monoisotopic mass478.283173 Da
  • ChemSpider ID34991963

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(+)-2,3-Dehydroemetine
(1'β,14β)-6',7',10,11-Tetramethoxy-2,3-didehydroemetan [German] [ACD/IUPAC Name]
(1'β,14β)-6',7',10,11-Tetramethoxy-2,3-didehydroemetan [ACD/IUPAC Name]
(1'β,14β)-6',7',10,11-Tétraméthoxy-2,3-didéhydroémétan [French] [ACD/IUPAC Name]
4H-Benzo[a]quinolizine, 3-ethyl-1,6,7,11b-tetrahydro-9,10-dimethoxy-2-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl]methyl]-, (11bR)- [ACD/Index Name]
(11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-4,6,7,11b-tetrahydro-1H-pyrido[2,1-a]isoquinoline
1986-67-0 [RN]
2,3-Dehydroemetine
2,3-Didehydro-6',7',10,11-tetramethoxyemetan
2,3-Didehydroemetine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS003623 [DBID]
AIDS-003623 [DBID]
BT 436 [DBID]
C07996 [DBID]
CCRIS 4110 [DBID]
D00828 [DBID]
NCI60_000664 [DBID]
NSC 131546 [DBID]
NSC131546 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.5±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 137.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.17
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 65.05
ACD/KOC (pH 7.4): 225.81
Polar Surface Area: 52 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 399.8±5.0 cm3

Click to predict properties on the Chemicalize site


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