ChemSpider 2D Image | (−)-Gymnodimine A | C32H45NO4

(−)-Gymnodimine A

  • Molecular FormulaC32H45NO4
  • Average mass507.704 Da
  • Monoisotopic mass507.334869 Da
  • ChemSpider ID9823876

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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(−)-Gymnodimine A
(5S)-5-[(1R,2E,11R,16S,17E,19S,22R,24R)-19-Hydroxy-2,15,18,24-tetramethyl-25-oxa-7-azatetracyclo[20.2.1.06,11.011,16]pentacosa-2,6,14,17-tetraen-14-yl]-3-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-[(1R,2E,11R,16S,17E,19S,22R,24R)-19-Hydroxy-2,15,18,24-tetramethyl-25-oxa-7-azatetracyclo[20.2.1.06,11.011,16]pentacosa-2,6,14,17-tetraen-14-yl]-3-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-5-[(1R,2E,11R,16S,17E,19S,22R,24R)-19-Hydroxy-2,15,18,24-tétraméthyl-25-oxa-7-azatétracyclo[20.2.1.06,11.011,16]pentacosa-2,6,14,17-tétraén-14-yl]-3-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-methyl-5-[(4aR,8aS,9E,11S,14R,16R,17R,18E)-3,4,5,6,8a,11,12,13,14,15,16,17,20,21-tetradecahydro-11-hydroxy-8,10,16,18-tetramethyl-14,17-epoxy-2H-benzo[2,3]cyclohexadeca[1,2-b]pyridin -7-yl]-, (5S)- [ACD/Index Name]
Gymnodimine
173792-58-0 [RN]
2(5H)-Furanone,3-methyl-5-[(7e,9r,10r,12r,15s,16e,17as,21ar)-2,3,5,6,9,10,11,12,13,14,15,17a,20,21-tetradecahydro-15-hydroxy-8,10,16,18-tetramethyl-9,12-epoxy-1H-benzo[2,3]cyclohexadeca[1,2-b]pyridin-
2(5H)-Furanone,3-methyl-5-[(7E,9R,10R,12R,15S,16E,17aS,21aR)-2,3,5,6,9,10,11,12,13,14,15,17a,20,21-tetradecahydro-15-hydroxy-8,10,16,18-tetramethyl-9,12-epoxy-1H-benzo[2,3]cyclohexadeca[1,2-b]pyridin-19-yl]-,(5S)-
Gymnodiminemissing
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 675.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±6.0 kJ/mol
Flash Point: 362.2±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 144.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 960.92
ACD/KOC (pH 5.5): 1544.29
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 21656.25
ACD/KOC (pH 7.4): 34803.52
Polar Surface Area: 68 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 417.8±7.0 cm3

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