ChemSpider 2D Image | (6R)-2,6-Anhydro-3-O-[(2E,4E)-2,4-decadienoyl]-1,5-dideoxy-6-[(4aR,12bR)-4a,8,12b-trihydroxy-3-methyl-1,7,12-trioxo-1,4,4a,7,12,12b-hexahydro-9-tetraphenyl]-L-arabino-hexitol | C35H38O10

(6R)-2,6-Anhydro-3-O-[(2E,4E)-2,4-decadienoyl]-1,5-dideoxy-6-[(4aR,12bR)-4a,8,12b-trihydroxy-3-methyl-1,7,12-trioxo-1,4,4a,7,12,12b-hexahydro-9-tetraphenyl]-L-arabino-hexitol

  • Molecular FormulaC35H38O10
  • Average mass618.670 Da
  • Monoisotopic mass618.246521 Da
  • ChemSpider ID88297340

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6R)-2,6-Anhydro-3-O-[(2E,4E)-2,4-decadienoyl]-1,5-dideoxy-6-[(4aR,12bR)-4a,8,12b-trihydroxy-3-methyl-1,7,12-trioxo-1,4,4a,7,12,12b-hexahydro-9-tetraphenyl]-L-arabino-hexitol [ACD/IUPAC Name]
(6R)-2,6-Anhydro-3-O-[(2E,4E)-2,4-decadienoyl]-1,5-didesoxy-6-[(4aR,12bR)-4a,8,12b-trihydroxy-3-methyl-1,7,12-trioxo-1,4,4a,7,12,12b-hexahydro-9-tetraphenyl]-L-arabino-hexitol [German] [ACD/IUPAC Name]
(6R)-2,6-Anhydro-3-O-[(2E,4E)-2,4-decadienoyl]-1,5-didésoxy-6-[(4aR,12bR)-4a,8,12b-trihydroxy-3-méthyl-1,7,12-trioxo-1,4,4a,7,12,12b-hexahydro-9-tétraphényl]-L-arabino-hexitol [French] [ACD/IUPAC Name]
L-arabino-Hexitol, 2,6-anhydro-1,5-dideoxy-6-C-[(4aR,12bR)-1,4,4a,7,12,12b-hexahydro-4a,8,12b-trihydroxy-3-methyl-1,7,12-trioxobenz[a]anthracen-9-yl]-3-O-[(2E,4E)-1-oxo-2,4-decadien-1-yl]-, (6R)- [ACD/Index Name]
97937-29-6 [RN]
Capoamycin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 826.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 261.6±27.8 °C
Index of Refraction: 1.652
Molar Refractivity: 161.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 11835.05
ACD/KOC (pH 5.5): 26558.72
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 609.76
ACD/KOC (pH 7.4): 1368.34
Polar Surface Area: 168 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 442.4±5.0 cm3

Click to predict properties on the Chemicalize site


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