ChemSpider 2D Image | (1R,12S,13R,14S,18E,21S,23S,24R,25R,27R)-1,14-Dihydroxy-17-{(2E)-4-[(12S,13R,14S,17R,18E,21S,23S,24R,25R,27R)-14-hydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dime
thoxy-13,19,21,27-tetramethyl-2,3,10,16-tetraoxo-11,28-dioxa-4-azatricyclo[22.3.1.0~4,9~]octacos-18-en-17-yl]-2-buten-1-yl}-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-d
imethoxy-13,19,21,27-tetramethyl-11,28-dioxa | C86H134N2O23

(1R,12S,13R,14S,18E,21S,23S,24R,25R,27R)-1,14-Dihydroxy-17-{(2E)-4-[(12S,13R,14S,17R,18E,21S,23S,24R,25R,27R)-14-hydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dime thoxy-13,19,21,27-tetramethyl-2,3,10,16-tetraoxo-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-17-yl]-2-buten-1-yl}-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-d imethoxy-13,19,21,27-tetramethyl-11,28-dioxa

  • Molecular FormulaC86H134N2O23
  • Average mass1563.984 Da
  • Monoisotopic mass1562.937744 Da
  • ChemSpider ID23193198
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 24 of 28 defined stereocentres


More details:






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

(1R,12S,13R,14S,18E,21S,23S,24R,25R,27R)-1,14-Dihydroxy-17-{(2E)-4-[(12S,13R,14S,17R,18E,21S,23S,24R,25R,27R)-14-hydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dime ;thoxy-13,19,21,27-tetramethyl-2,3,10,16-tetraoxo-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-17-yl]-2-buten-1-yl}-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-d imethoxy-13,19,21,27-tetramethyl-11,28-dioxa [ACD/IUPAC Name]
(1R,12S,13R,14S,18E,21S,23S,24R,25R,27R)-1,14-Dihydroxy-17-{(2E)-4-[(12S,13R,14S,17R,18E,21S,23S,24R,25R,27R)-14-hydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dime ;thoxy-13,19,21,27-tetramethyl-2,3,10,16-tetraoxo-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-17-yl]-2-buten-1-yl}-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-d imethoxy-13,19,21,27-tetramethyl-11,28-dioxa [German] [ACD/IUPAC Name]
(1R,12S,13R,14S,18E,21S,23S,24R,25R,27R)-1,14-Dihydroxy-17-{(2E)-4-[(12S,13R,14S,17R,18E,21S,23S,24R,25R,27R)-14-hydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-méthoxycyclohexyl]-1-propén-2-yl}-23,25-dimé ;thoxy-13,19,21,27-tétraméthyl-2,3,10,16-tétraoxo-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-én-17-yl]-2-butén-1-yl}-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-méthoxycyclohexyl]-1-propén-2-yl}-23,25-d iméthoxy-13,19,21,27-tétraméthyl-11,28-dioxa [French] [ACD/IUPAC Name]
15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 8-[(2E)-4-[(3S,4R,5S,8R,9E,12S,14S,15R,16R,18R)-1,4,5,6,7,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydr o-5-hydroxy-3-[(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-1,7,20,21-tetraoxo-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosin-8-yl]-2- buten-1-yl]-5,6,8,11,12,13,14,15,16,17,18,19 [ACD/Index Name]
FK1012
FK-1012

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 1309.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 221.5±6.0 kJ/mol
Flash Point: 745.8±37.1 °C
Index of Refraction: 1.566
Molar Refractivity: 415.8±0.4 cm3
#H bond acceptors: 25
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 6.92
ACD/BCF (pH 5.5): 107674.55
ACD/KOC (pH 5.5): 139174.89
ACD/LogD (pH 7.4): 6.92
ACD/BCF (pH 7.4): 107382.59
ACD/KOC (pH 7.4): 138797.50
Polar Surface Area: 336 Å2
Polarizability: 164.8±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 1274.6±5.0 cm3

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