ChemSpider 2D Image | bound formtrioxacarcin a analogue | C33H40O14

bound formtrioxacarcin a analogue

  • Molecular FormulaC33H40O14
  • Average mass660.662 Da
  • Monoisotopic mass660.241821 Da
  • ChemSpider ID35033560

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,17S,18S,19R,21S)-19-(Dimethoxymethyl)-13,18-dihydroxy-6-methoxy-3,18-dimethyl-11-oxo-16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2,4,6,12,14-pentaen-17-yl 4-C-acetyl-2, 6-dideoxy-α-L-xylo-hexopyranoside [ACD/IUPAC Name]
(1S,17S,18S,19R,21S)-19-(Dimethoxymethyl)-13,18-dihydroxy-6-methoxy-3,18-dimethyl-11-oxo-16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2,4,6,12,14-pentaen-17-yl-4-C-acetyl-2, 6-didesoxy-α-L-xylo-hexopyranosid [German] [ACD/IUPAC Name]
2,13-Methano-10H-anthra[1,2-b]-1,3-dioxolo[4,5-d]pyran-10-one, 13-[(4-C-acetyl-2,6-dideoxy-α-L-xylo-hexopyranosyl)oxy]-2-(dimethoxymethyl)-3a,7,8,9,13,13a-hexahydro-11,14-dihydroxy-6-methoxy-4,14- dimethyl-, (2R,3aS,13S,13aS,14S)- [ACD/Index Name]
4-C-Acétyl-2,6-didésoxy-α-L-xylo-hexopyranoside de (1S,17S,18S,19R,21S)-19-(diméthoxyméthyl)-13,18-dihydroxy-6-méthoxy-3,18-diméthyl-11-oxo-16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12. 017,21]docosa-2,4,6,12,14-pentaén-17-yle [French] [ACD/IUPAC Name]
bound formtrioxacarcin a analogue

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

Density: 1.5±0.1 g/cm3
Boiling Point: 881.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.3±3.0 kJ/mol
Flash Point: 281.7±27.8 °C
Index of Refraction: 1.658
Molar Refractivity: 160.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 8.84
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13160.61
ACD/KOC (pH 5.5): 30888.69
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 10676.40
ACD/KOC (pH 7.4): 25058.10
Polar Surface Area: 189 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 436.3±5.0 cm3

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