ChemSpider 2D Image | amphidinol 3 | C70H118O23

amphidinol 3

  • Molecular FormulaC70H118O23
  • Average mass1327.672 Da
  • Monoisotopic mass1326.806396 Da
  • ChemSpider ID27025890

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 25 of 25 defined stereocentres

More details:

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

(2R,4E,6R,8E,10R,14R,20S,21S,23S,24R,25S,27S,30E,32R,33S)-33-{(2R,3R,4R,6R)-6-[(1R,5R,6R)-6-{(2R,4R,5R,6R)-6-[(1S,2R,3E,7E,9E,11E,15E)-1,2-Dihydroxy-3,7,9,11,15,17-octadecahexaen-1-yl]-4,5-dihydroxyte trahydro-2H-pyran-2-yl}-1,5,6-trihydroxy-4-methylenehexyl]-3,4-dihydroxytetrahydro-2H-pyran-2-yl}-23,30-dimethyl-4,8,30-tritriacontatriene-1,2,6,10,14,20,21,24,25,27,32,33-dodecol [ACD/IUPAC Name]
(2R,4E,6R,8E,10R,14R,20S,21S,23S,24R,25S,27S,30E,32R,33S)-33-{(2R,3R,4R,6R)-6-[(1R,5R,6R)-6-{(2R,4R,5R,6R)-6-[(1S,2R,3E,7E,9E,11E,15E)-1,2-Dihydroxy-3,7,9,11,15,17-octadécahexaén-1-yl]-4,5-dihydroxyté trahydro-2H-pyran-2-yl}-1,5,6-trihydroxy-4-méthylènehexyl]-3,4-dihydroxytétrahydro-2H-pyran-2-yl}-23,30-diméthyl-4,8,30-tritriacontatriène-1,2,6,10,14,20,21,24,25,27,32,33-dodécol [French] [ACD/IUPAC Name]
(2R,4E,6R,8E,10R,14R,20S,21S,23S,24R,25S,27S,30E,32R,33S)-33-{(2R,3R,4R,6R)-6-[(1R,5R,6R)-6-{(2R,4R,5R,6R)-6-[(1S,2R,3E,7E,9E,11E,15E)-1,2-Dihydroxy-3,7,9,11,15,17-octadecahexaen-1-yl]-4,5-dihydroxyte trahydro-2H-pyran-2-yl}-1,5,6-trihydroxy-4-methylenhexyl]-3,4-dihydroxytetrahydro-2H-pyran-2-yl}-23,30-dimethyl-4,8,30-tritriacontatrien-1,2,6,10,14,20,21,24,25,27,32,33-dodecol [German] [ACD/IUPAC Name]
amphidinol 3
D-allo-D-talo-L-ido-D-gulo-Octacos-19-enitol, 1,5:12,16-dianhydro-4,8,9,10,13,19,20,21,22,24,27,28-dodecadeoxy-1-C-[(1S,2R,3E,7E,9E,11E,15E)-1,2-dihydroxy-3,7,9,11,15,17-octadecahexaen-1-yl]-27-[(2S,3 S,9R,13R,14E,17R,18E,21R)-2,3,9,13,17,21,22-heptahydroxy-14,18-docosadien-1-yl]-20-methyl-8-methylene-, (1R,19E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1356.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 230.7±6.0 kJ/mol
Flash Point: 774.3±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 356.6±0.3 cm3
#H bond acceptors: 23
#H bond donors: 21
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 3
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.64
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.64
Polar Surface Area: 443 Å2
Polarizability: 141.4±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 1056.4±3.0 cm3

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