ChemSpider 2D Image | [Methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-13,14-dihydro-21-phorbinecarboxylatato(2-)-kappa~ 2~N,N']magnesium | C55H74MgN4O6

[Methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-13,14-dihydro-21-phorbinecarboxylatato(2-)-κ 2N,N']magnesium

  • Molecular FormulaC55H74MgN4O6
  • Average mass911.504 Da
  • Monoisotopic mass910.545898 Da
  • ChemSpider ID21169457

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[Methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-13,14-dihydro-21-phorbinecarboxylatato(2-)-κ 2N,N']magnesium [ACD/IUPAC Name]
Magnesium, [(3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-13,14-dihydro-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-κN23,κN25, (2E,7R,11R)-3,7,11,15-tetramethyl-2-he xadecen-1-yl ester]- [ACD/Index Name]
1208938 [Beilstein]
17499-98-8 [RN]
6048929 [Beilstein]
Bacteriochlorophyll [Wiki]
bacteriochlorophyll a
Bacterio-chlorophyll a
Bacteriochlorophyll from Rhodopseudomonas sphaeroides

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

B5906_SIAL [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations:
ACD/LogP:
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: 120 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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