ChemSpider 2D Image | {3-[(3S,4S,13R,14Z)-14-Ethylidene-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-13,14-dihydro-3-phorbinyl-kappa~4~N~23~,N~24~,N~25~,N~26~]propanoato(4-)}magnesate(2-) | C35H32MgN4O5

{3-[(3S,4S,13R,14Z)-14-Ethylidene-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-13,14-dihydro-3-phorbinyl-κ4N23,N24,N25,N26]propanoato(4-)}magnesate(2-)

  • Molecular FormulaC35H32MgN4O5
  • Average mass612.958 Da
  • Monoisotopic mass612.223389 Da
  • ChemSpider ID58164108

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{3-[(3S,4S,13R,14Z)-14-Ethyliden-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-13,14-dihydro-3-phorbinyl-κ4N23,N24,N25,N26]propanoato(4-)}magnesat(2-) [German] [ACD/IUPAC Name]
{3-[(3S,4S,13R,14Z)-14-Ethylidene-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-13,14-dihydro-3-phorbinyl-κ4N23,N24,N25,N26]propanoato(4-)}magnesate(2-) [ACD/IUPAC Name]
Magnesate(2-), [(3S,4S,13R,14Z)-9-ethenyl-14-ethylidene-13,14-dihydro-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(4-)-κN23,κN24,κN25,κN26]- [ACD/Index Name]
{3-[(3S,4S,13R,14Z)-9-ethenyl-14-ethylidene-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-13,14-dihydrophorbin-3-yl-κ(4)N(23),N(24),N(25),N(26)]propanoato(4-)}magnesate(2-)
bacteriochlorophyllide g
bacteriochlorophyllide g(2-)

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: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#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: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

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