ChemSpider 2D Image | nordolastatin G | C56H94N6O13

nordolastatin G

  • Molecular FormulaC56H94N6O13
  • Average mass1059.378 Da
  • Monoisotopic mass1058.687866 Da
  • ChemSpider ID10307729

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(6S,9S,12S,17E,20S,21R,24R,25R,29S,31aS,37S,39aS)-12-[(2S)-2-Butanyl]-25-hydroxy-9,29,37-triisopropyl-6-(methoxymethyl)-7,10,13,17,20,21,24,38-octamethyl-1,2,3,6,7,9,10,12,13,20,21,24,25,26,27,28,29,3 1a,32,33,34,37,38,39a-tetracosahydro-5H,23H,31H-dipyrrolo[2,1-c:2',1'-i][1,28,4,7,10,13,16,19]dioxahexaazacyclopentatriacontin-5,8,11,14,16,23,31,36,39(15H,19H)-nonon [German] [ACD/IUPAC Name]
(6S,9S,12S,17E,20S,21R,24R,25R,29S,31aS,37S,39aS)-12-[(2S)-2-Butanyl]-25-hydroxy-9,29,37-triisopropyl-6-(methoxymethyl)-7,10,13,17,20,21,24,38-octamethyl-1,2,3,6,7,9,10,12,13,20,21,24,25,26,27,28,29,3 1a,32,33,34,37,38,39a-tetracosahydro-5H,23H,31H-dipyrrolo[2,1-c:2',1'-i][1,28,4,7,10,13,16,19]dioxahexaazacyclopentatriacontine-5,8,11,14,16,23,31,36,39(15H,19H)-nonone [ACD/IUPAC Name]
(6S,9S,12S,17E,20S,21R,24R,25R,29S,31aS,37S,39aS)-12-[(2S)-2-Butanyl]-25-hydroxy-9,29,37-triisopropyl-6-(méthoxyméthyl)-7,10,13,17,20,21,24,38-octaméthyl-1,2,3,6,7,9,10,12,13,20,21,24,25,26,27,28,29,3 1a,32,33,34,37,38,39a-tétracosahydro-5H,23H,31H-dipyrrolo[2,1-c:2',1'-i][1,28,4,7,10,13,16,19]dioxahexaazacyclopentatriacontine-5,8,11,14,16,23,31,36,39(15H,19H)-nonone [French] [ACD/IUPAC Name]
5H,23H,31H-Dipyrrolo[2,1-c:2',1'-i][1,28,4,7,10,13,16,19]dioxahexaazacyclopentatriacontine-5,8,11,14,16,23,31,36,39(15H,19H)-nonone, 1,2,3,6,7,9,10,12,13,20,21,24,25,26,27,28,29,31a,32,33,34,37,38,39a -tetracosahydro-25-hydroxy-6-(methoxymethyl)-7,10,13,17,20,21,24,38-octamethyl-9,29,37-tris(1-methylethyl)-12-[(1S)-1-methylpropyl]-, (6S,9S,12S,17E,20S,21R,24R,25R,29S,31aS,37S,39aS)- [ACD/Index Name]
nordolastatin G

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1139.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 189.8±6.0 kJ/mol
Flash Point: 642.9±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 285.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 181.81
ACD/KOC (pH 5.5): 1442.27
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 181.79
ACD/KOC (pH 7.4): 1442.05
Polar Surface Area: 221 Å2
Polarizability: 113.2±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 903.6±5.0 cm3

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