ChemSpider 2D Image | Methyl 3-[(3S,4S)-14,18-diethyl-9-(1-hydroxyethyl)-4,6,8,13-tetramethyl-20-oxo-24,25-dihydro-3-phorbinyl]propanoate | C36H42N4O4

Methyl 3-[(3S,4S)-14,18-diethyl-9-(1-hydroxyethyl)-4,6,8,13-tetramethyl-20-oxo-24,25-dihydro-3-phorbinyl]propanoate

  • Molecular FormulaC36H42N4O4
  • Average mass594.743 Da
  • Monoisotopic mass594.320618 Da
  • ChemSpider ID4591041
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres


More details:






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

3-Phorbinepropanoic acid, 14,18-diethyl-24,25-dihydro-9-(1-hydroxyethyl)-4,6,8,13-tetramethyl-20-oxo-, methyl ester, (3S,4S)- [ACD/Index Name]
Methyl 3-[(3S,4S)-14,18-diethyl-9-(1-hydroxyethyl)-4,6,8,13-tetramethyl-20-oxo-24,25-dihydro-3-phorbinyl]propanoate [ACD/IUPAC Name]
Methyl-3-[(3S,4S)-14,18-diethyl-9-(1-hydroxyethyl)-4,6,8,13-tetramethyl-20-oxo-24,25-dihydro-3-phorbinyl]propanoat [German] [ACD/IUPAC Name]
3-Phorbinepropanoic acid, 14,18-diethyl-9-(1-hydroxyethyl)-4,6,8,13-tetramethyl-20-oxo-, methyl ester, (3S-(3α,4β))-
bacteriopheophorbide c methyl ester
Methyl bacteriopheophorbide c

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 958.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.2±3.0 kJ/mol
Flash Point: 533.4±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 165.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.63
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 121 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 462.3±5.0 cm3

Click to predict properties on the Chemicalize site






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