ChemSpider 2D Image | 3,3'-[7-(Hydroxymethyl)-3,8,13,17-tetramethyl-12-vinyl-2,18-porphyrindiyl]dipropanoic acid | C33H34N4O5

3,3'-[7-(Hydroxymethyl)-3,8,13,17-tetramethyl-12-vinyl-2,18-porphyrindiyl]dipropanoic acid

  • Molecular FormulaC33H34N4O5
  • Average mass566.647 Da
  • Monoisotopic mass566.252930 Da
  • ChemSpider ID22529594
  • Double-bond stereo - Double-bond stereo

More details:

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

3,3'-[7-(Hydroxymethyl)-3,8,13,17-tetramethyl-12-vinyl-2,18-porphyrindiyl]dipropansäure [German] [ACD/IUPAC Name]
Acide 3,3'-[7-(hydroxyméthyl)-3,8,13,17-tétraméthyl-12-vinyl-2,18-porphyrinediyl]dipropanoïque [French] [ACD/IUPAC Name]
141407-08-1 [RN]
8-Vinyl, 13-hydroxymethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionic acid
Deuteroporphyrin IX 2-vinyl, 4-hydroxymethyl
Deuteroporphyrin IX 2-vinyl; 4-hydroxymethyl
MFCD00216778 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1174.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 182.0±3.0 kJ/mol
Flash Point: 664.1±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 158.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.67
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: 152 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 421.1±3.0 cm3

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