ChemSpider 2D Image | (7R,8R,17S,18S)-12-Acetyl-18-(2-carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-7,8,17,18-tetrahydro-2-porphyrincarboxylic acid | C34H38N4O7

(7R,8R,17S,18S)-12-Acetyl-18-(2-carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-7,8,17,18-tetrahydro-2-porphyrincarboxylic acid

  • Molecular FormulaC34H38N4O7
  • Average mass614.688 Da
  • Monoisotopic mass614.274048 Da
  • ChemSpider ID140089

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(7R,8R,17S,18S)-12-Acetyl-18-(2-carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-7,8,17,18-tetrahydro-2-porphyrincarbonsäure [German] [ACD/IUPAC Name]
(7R,8R,17S,18S)-12-Acetyl-18-(2-carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-7,8,17,18-tetrahydro-2-porphyrincarboxylic acid [ACD/IUPAC Name]
Acide (7R,8R,17S,18S)-12-acétyl-18-(2-carboxyéthyl)-20-(carboxyméthyl)-7-éthyl-3,8,13,17-tétraméthyl-7,8,17,18-tétrahydro-2-porphyrinecarboxylique [French] [ACD/IUPAC Name]
(7R,8R,17S,18S)-12-ACETYL-18-(2-CARBOXYETHYL)-20-(CARBOXYMETHYL)-7-ETHYL-3,8,13,17-TETRAMETHYL-7,8,17,18-TETRAHYDROPORPHYRIN-2-CARBOXYLIC ACID
103428-20-2 [RN]
bacteriochlorin a

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1024.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.7±3.0 kJ/mol
Flash Point: 573.2±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 163.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.15
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: 186 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 473.0±3.0 cm3

Click to predict properties on the Chemicalize site


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