ChemSpider 2D Image | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | C33H39NO13

4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN

  • Molecular FormulaC33H39NO13
  • Average mass657.662 Da
  • Monoisotopic mass657.242126 Da
  • ChemSpider ID4450873

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-4-O-(2,6-dideoxy-α-L-arabino-hexopyranosyl)-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-2,3,6-tridesoxy-4-O-(2,6-didesoxy-α-L-arabino-hexopyranosyl)-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
3-Amino-2,3,6-tridésoxy-4-O-(2,6-didésoxy-α-L-arabino-hexopyranosyl)-α-L-lyxo-hexopyranoside de (1S,3S)-3-acétyl-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN
5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-4-O-(2,6-dideoxy-α-L-arabino-hexopyranosyl)-α-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
5,12-Naphthacenedione, 8-acetyl-10-[[3-amino-2,3,6-trideoxy-4-O-(2,6-dideoxy-α-L-arabino-hexopyranosyl)-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)- [ACD/Index Name]
MAR

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

Density: 1.5±0.1 g/cm3
Boiling Point: 863.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.4±3.0 kJ/mol
Flash Point: 475.9±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 160.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.28
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.81
Polar Surface Area: 225 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 84.4±5.0 dyne/cm
Molar Volume: 428.3±5.0 cm3

Click to predict properties on the Chemicalize site


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