Found 93 results

Search term: MF = 'C_{32}H_{45}NO_{4}'
ChemSpider 2D Image | (5S)-5-[(1S,2E,9R,16S,17E,19S,22S,24R)-19-Hydroxy-2,15,18,24-tetramethyl-25-oxa-5-azatetracyclo[20.2.1.0~4,9~.0~11,16~]pentacosa-2,4,14,17-tetraen-14-yl]-3-methyl-2(5H)-furanone | C32H45NO4

(5S)-5-[(1S,2E,9R,16S,17E,19S,22S,24R)-19-Hydroxy-2,15,18,24-tetramethyl-25-oxa-5-azatetracyclo[20.2.1.04,9.011,16]pentacosa-2,4,14,17-tetraen-14-yl]-3-methyl-2(5H)-furanone

  • Molecular FormulaC32H45NO4
  • Average mass507.704 Da
  • Monoisotopic mass507.334869 Da
  • ChemSpider ID4946307

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(5S)-5-[(1S,2E,9R,16S,17E,19S,22S,24R)-19-Hydroxy-2,15,18,24-tetramethyl-25-oxa-5-azatetracyclo[20.2.1.04,9.011,16]pentacosa-2,4,14,17-tetraen-14-yl]-3-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-[(1S,2E,9R,16S,17E,19S,22S,24R)-19-Hydroxy-2,15,18,24-tetramethyl-25-oxa-5-azatetracyclo[20.2.1.04,9.011,16]pentacosa-2,4,14,17-tetraen-14-yl]-3-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-5-[(1S,2E,9R,16S,17E,19S,22S,24R)-19-Hydroxy-2,15,18,24-tétraméthyl-25-oxa-5-azatétracyclo[20.2.1.04,9.011,16]pentacosa-2,4,14,17-tétraén-14-yl]-3-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-[(4aR,9aS,10E,12S,15S,17R,18S,19E)-2,3,4,4a,5,5a,6,7,9a,12,13,14,15,16,17,18-hexadecahydro-12-hydroxy-9,11,17,19-tetramethyl-15,18-epoxybenzo[4,5]cyclohexadeca[1,2-b]pyridin-8-yl]-3- methyl-, (5S)- [ACD/Index Name]
173792-58-0 [RN]
Gymnodimine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 672.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 360.3±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 143.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 87.80
ACD/KOC (pH 5.5): 284.44
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 1993.48
ACD/KOC (pH 7.4): 6457.92
Polar Surface Area: 68 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 412.4±7.0 cm3

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