ChemSpider 2D Image | CSID:8661666 | C55H92N6O13

  • Molecular FormulaC55H92N6O13
  • Average mass1045.351 Da
  • Monoisotopic mass1044.672241 Da
  • ChemSpider ID8661666

  • 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,17Z,20S,21R,24R,25R,29R,31aS,37S,39aS)-12-[(2S)-2-Butanyl]-29-ethyl-25-hydroxy-9,37-diisopropyl-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 ,29,31a,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,17Z,20S,21R,24R,25R,29R,31aS,37S,39aS)-12-[(2S)-2-Butanyl]-29-éthyl-25-hydroxy-9,37-diisopropyl-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 ,29,31a,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]
norlyngbyastatin 2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1137.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 189.5±6.0 kJ/mol
Flash Point: 641.9±34.3 °C
Index of Refraction: 1.546
Molar Refractivity: 281.1±0.4 cm3
#H bond acceptors: 19
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 107.82
ACD/KOC (pH 5.5): 992.22
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 107.80
ACD/KOC (pH 7.4): 992.07
Polar Surface Area: 221 Å2
Polarizability: 111.4±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 887.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement