ChemSpider 2D Image | (2R,3S)-2,7,12,17-Tetraethyl-3,8,13,18-tetramethyl-2,3-dihydro-2,3-porphyrindiol | C32H40N4O2

(2R,3S)-2,7,12,17-Tetraethyl-3,8,13,18-tetramethyl-2,3-dihydro-2,3-porphyrindiol

  • Molecular FormulaC32H40N4O2
  • Average mass512.686 Da
  • Monoisotopic mass512.315125 Da
  • ChemSpider ID169619

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2,7,12,17-Tetraethyl-3,8,13,18-tetramethyl-2,3-dihydro-2,3-porphyrindiol [ACD/IUPAC Name]
(2R,3S)-2,7,12,17-Tetraethyl-3,8,13,18-tetramethyl-2,3-dihydro-2,3-porphyrindiol [German] [ACD/IUPAC Name]
(2R,3S)-2,7,12,17-Tétraéthyl-3,8,13,18-tétraméthyl-2,3-dihydro-2,3-porphyrinediol [French] [ACD/IUPAC Name]
21H,23H-Porphine-7,8-diol, 2,7,12,17-tetraethyl-7,8-dihydro-3,8,13,18-tetramethyl-, (7R,8S)- [ACD/Index Name]
130650-84-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 818.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 448.5±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 150.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.18
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: 98 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 436.1±3.0 cm3

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