Found 1 result

Search term: 9084043 (Found by CSID)
ChemSpider 2D Image | (17S)-12-(Hydroxymethyl)-17-isobutyl-22-{(Z)-[(4Z)-2-isobutyl-4-(5-methoxy-2-pentanylidene)dihydro-3(2H)-furanylidene]methyl}-8,12-dimethyl-10,14,19,24-tetraoxa-23,25-diazatetracyclo[19.2.1.1~2,5~.0~9 ,13~]pentacosa-1(23),2,4,7-tetraene-11,15,18-trione | C41H58N2O10

(17S)-12-(Hydroxymethyl)-17-isobutyl-22-{(Z)-[(4Z)-2-isobutyl-4-(5-methoxy-2-pentanylidene)dihydro-3(2H)-furanylidene]methyl}-8,12-dimethyl-10,14,19,24-tetraoxa-23,25-diazatetracyclo[19.2.1.12,5.09 ,13]pentacosa-1(23),2,4,7-tetraene-11,15,18-trione

  • Molecular FormulaC41H58N2O10
  • Average mass738.907 Da
  • Monoisotopic mass738.409119 Da
  • ChemSpider ID9084043

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 7 defined stereocentres

More details:

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

(17S)-12-(Hydroxymethyl)-17-isobutyl-22-{(Z)-[(4Z)-2-isobutyl-4-(5-methoxy-2-pentanyliden)dihydro-3(2H)-furanyliden]methyl}-8,12-dimethyl-10,14,19,24-tetraoxa-23,25-diazatetracyclo[19.2.1.12,5.09,1 3]pentacosa-1(23),2,4,7-tetraen-11,15,18-trion [German] [ACD/IUPAC Name]
(17S)-12-(Hydroxymethyl)-17-isobutyl-22-{(Z)-[(4Z)-2-isobutyl-4-(5-methoxy-2-pentanylidene)dihydro-3(2H)-furanylidene]methyl}-8,12-dimethyl-10,14,19,24-tetraoxa-23,25-diazatetracyclo[19.2.1.12,5.09 ,13]pentacosa-1(23),2,4,7-tetraene-11,15,18-trione [ACD/IUPAC Name]
(17S)-12-(Hydroxyméthyl)-17-isobutyl-22-{(Z)-[(4Z)-2-isobutyl-4-(5-méthoxy-2-pentanylidène)dihydro-3(2H)-furanylidène]méthyl}-8,12-diméthyl-10,14,19,24-tétraoxa-23,25-diazatétracyclo[19.2.1.12,5.09 ,13]pentacosa-1(23),2,4,7-tétraène-11,15,18-trione [French] [ACD/IUPAC Name]
11,14-Epoxy-15,18-iminofuro[2,3-n][1,16,5]dioxaazacycloeicosine-2,5,8(3H)-trione, 12-[(Z)-[(4Z)-dihydro-4-(4-methoxy-1-methylbutylidene)-2-(2-methylpropyl)-3(2H)-furanylidene]methyl]-3a,6,7,10,11,12,1 9,21a-octahydro-3-(hydroxymethyl)-3,21-dimethyl-7-(2-methylpropyl)-, (7S)- [ACD/Index Name]
(7S,20E)-3-(hydroxymethyl)-12-{(Z)-[(4Z)-4-(5-methoxypentan-2-ylidene)-2-(2-methylpropyl)dihydrofuran-3(2H)-ylidene]methyl}-3,21-dimethyl-7-(2-methylpropyl)-3a,6,7,10,11,12,19,21a-octahydro-15,18-epimino-11,14-epoxyfuro[2,3-n][1,16,5]dioxazacycloicosine-2,5,8(3H)-trione
11,14-epoxy-15,18-iminofuro[2,3-n][1,16,5]dioxaazacycloeicosine-2,5,8(3H)-trione, 12-[(Z)-[(4Z)-dihydro-4-(4-methoxy-1-methylbutylidene)-2-(2-methylpropyl)-3(2H)-furanylidene]methyl]-3a,6,7,10,11,12,19,21a-octahydro-3-(hydroxymethyl)-3,21-dimethyl-7-(2-methylpropyl)-, (7S,20E)-
Leupyrrin A1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 922.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.5±3.0 kJ/mol
Flash Point: 511.4±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 195.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4179.44
ACD/KOC (pH 5.5): 13546.08
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4239.24
ACD/KOC (pH 7.4): 13739.89
Polar Surface Area: 155 Å2
Polarizability: 77.6±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 584.1±7.0 cm3

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