ChemSpider 2D Image | gambogic amide | C38H45NO7

gambogic amide

  • Molecular FormulaC38H45NO7
  • Average mass627.766 Da
  • Monoisotopic mass627.319580 Da
  • ChemSpider ID32699688

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2Z)-4-[(1S,2S,8R,17S,19R)-12-Hydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,
 11,15-pentaen-19-yl]-2-methyl-2-butenamid [German] [ACD/IUPAC Name]
(2Z)-4-[(1S,2S,8R,17S,19R)-12-Hydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,
 11,15-pentaen-19-yl]-2-methyl-2-butenamide [ACD/IUPAC Name]
(2Z)-4-[(1S,2S,8R,17S,19R)-12-Hydroxy-8,21,21-triméthyl-5-(3-méthyl-2-butén-1-yl)-8-(4-méthyl-3-pentén-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,
 11,15-pentaén-19-yl]-2-méthyl-2-buténamide [French] [ACD/IUPAC Name]
286935-60-2 [RN]
2-Butenamide, 2-methyl-4-[(1R,3aS,5S,11R,14aS)-3a,4,5,7-tetrahydro-8-hydroxy-3,3,11-trimethyl-13-(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[ 3,2-b]xanthen-1-yl]-, (2Z)- [ACD/Index Name]
gambogic amide

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

GO7U0LVQ2D [DBID]
UNII:GO7U0LVQ2D [DBID]
UNII-GO7U0LVQ2D [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 823.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 452.1±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 174.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.24
ACD/LogD (pH 5.5): 7.70
ACD/BCF (pH 5.5): 415220.69
ACD/KOC (pH 5.5): 360477.03
ACD/LogD (pH 7.4): 7.01
ACD/BCF (pH 7.4): 85319.52
ACD/KOC (pH 7.4): 74070.80
Polar Surface Area: 125 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 491.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement