ChemSpider 2D Image | (1R,9S,12S,13R,14S,17R,18E,20S,21R,23S,24R,25S,27R)-17-Ethyl-1,14,20-trihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa -4-azatricyclo[22.3.1.0~4,9~]octacos-18-ene-2,3,10,16-tetrone | C43H69NO13

(1R,9S,12S,13R,14S,17R,18E,20S,21R,23S,24R,25S,27R)-17-Ethyl-1,14,20-trihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa -4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

  • Molecular FormulaC43H69NO13
  • Average mass808.007 Da
  • Monoisotopic mass807.476868 Da
  • ChemSpider ID393219

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1R,9S,12S,13R,14S,17R,18E,20S,21R,23S,24R,25S,27R)-17-Ethyl-1,14,20-trihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa ;-4-azatricyclo[22.3.1.04,9]octacos-18-en-2,3,10,16-tetron [German] [ACD/IUPAC Name]
(1R,9S,12S,13R,14S,17R,18E,20S,21R,23S,24R,25S,27R)-17-Ethyl-1,14,20-trihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa ;-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone [ACD/IUPAC Name]
(1R,9S,12S,13R,14S,17R,18E,20S,21R,23S,24R,25S,27R)-17-Éthyl-1,14,20-trihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-méthoxycyclohexyl]-1-propén-2-yl}-23,25-diméthoxy-13,19,21,27-tétraméthyl-11,28-dioxa ;-4-azatricyclo[22.3.1.04,9]octacos-18-ène-2,3,10,16-tétrone [French] [ACD/IUPAC Name]
15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,11,19-trihydroxy-3-[(E)-2-[(1R,3R,4R)-4-hydroxy-3 -methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S,4R,5S,8R,9E,11S,12R,14S,15R,16S,18R,19R,26aS)- [ACD/Index Name]
(1R,9S,12S,13R,14S,17R,18E,20S,21R,23S,24R,25S,27R)-17-ethyl-1,14,20-trihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
143839-74-1 [RN]
18-HYDROXYASCOMYCIN
L-685,818
L-685,818 (18-Hydroxyascomycin)

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

818 [DBID]
L 685818 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 896.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.0±6.0 kJ/mol
Flash Point: 496.1±37.1 °C
Index of Refraction: 1.554
Molar Refractivity: 211.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.73
ACD/KOC (pH 5.5): 703.80
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.54
ACD/KOC (pH 7.4): 701.79
Polar Surface Area: 199 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 659.6±5.0 cm3

Click to predict properties on the Chemicalize site


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