Found 1 result

Search term: 9094906 (Found by CSID)
ChemSpider 2D Image | (17S)-12-(Hydroxymethyl)-22-{(Z)-[(4Z)-4-(5-hydroxy-2-pentanylidene)-2-isobutyldihydro-3(2H)-furanylidene]methyl}-17-isobutyl-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 | C40H56N2O10

(17S)-12-(Hydroxymethyl)-22-{(Z)-[(4Z)-4-(5-hydroxy-2-pentanylidene)-2-isobutyldihydro-3(2H)-furanylidene]methyl}-17-isobutyl-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 FormulaC40H56N2O10
  • Average mass724.880 Da
  • Monoisotopic mass724.393494 Da
  • ChemSpider ID9094906

  • 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)-22-{(Z)-[(4Z)-4-(5-hydroxy-2-pentanyliden)-2-isobutyldihydro-3(2H)-furanyliden]methyl}-17-isobutyl-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)-22-{(Z)-[(4Z)-4-(5-hydroxy-2-pentanylidene)-2-isobutyldihydro-3(2H)-furanylidene]methyl}-17-isobutyl-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)-22-{(Z)-[(4Z)-4-(5-hydroxy-2-pentanylidène)-2-isobutyldihydro-3(2H)-furanylidène]méthyl}-17-isobutyl-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-hydroxy-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]
Leupyrrin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 949.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.7±3.0 kJ/mol
Flash Point: 527.7±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 190.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1613.13
ACD/KOC (pH 5.5): 6852.85
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1636.21
ACD/KOC (pH 7.4): 6950.90
Polar Surface Area: 166 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 559.7±7.0 cm3

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