ChemSpider 2D Image | gombamide A | C38H45N7O8S2

gombamide A

  • Molecular FormulaC38H45N7O8S2
  • Average mass791.936 Da
  • Monoisotopic mass791.277100 Da
  • ChemSpider ID29784879

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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(6R,11R,14S,16aS,21aS)-14-Benzyl-N-[(E)-2-(4-hydroxyphenyl)vinyl]-5,13,16,21-tetraoxo-6-[(5-oxo-L-prolyl)amino]hexadecahydro-1H,5H,10H-dipyrrolo[2,1-j:2',1'-m][1,2,5,8,11,14]dithiatetraazacycloheptade cin-11-carboxamid [German] [ACD/IUPAC Name]
(6R,11R,14S,16aS,21aS)-14-Benzyl-N-[(E)-2-(4-hydroxyphenyl)vinyl]-5,13,16,21-tetraoxo-6-[(5-oxo-L-prolyl)amino]hexadecahydro-1H,5H,10H-dipyrrolo[2,1-j:2',1'-m][1,2,5,8,11,14]dithiatetraazacycloheptade cine-11-carboxamide [ACD/IUPAC Name]
(6R,11R,14S,16aS,21aS)-14-Benzyl-N-[(E)-2-(4-hydroxyphényl)vinyl]-5,13,16,21-tétraoxo-6-[(5-oxo-L-prolyl)amino]hexadécahydro-1H,5H,10H-dipyrrolo[2,1-j:2',1'-m][1,2,5,8,11,14]dithiatétraazacycloheptadé cine-11-carboxamide [French] [ACD/IUPAC Name]
1H,5H,10H-Dipyrrolo[2,1-j:2',1'-m][1,2,5,8,11,14]dithiatetraazacycloheptadecine-11-carboxamide, hexadecahydro-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-5,13,16,21-tetraoxo-6-[[[(2S)-5-oxo-2-pyrrolidinyl]carb onyl]amino]-14-(phenylmethyl)-, (6R,11R,14S,16aS,21aS)- [ACD/Index Name]
gombamide A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1253.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 193.5±3.0 kJ/mol
Flash Point: 711.6±34.3 °C
Index of Refraction: 1.690
Molar Refractivity: 207.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.70
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.67
Polar Surface Area: 257 Å2
Polarizability: 82.4±0.5 10-24cm3
Surface Tension: 80.1±5.0 dyne/cm
Molar Volume: 543.9±5.0 cm3

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