ChemSpider 2D Image | (1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-[(trifluoroacetyl)amino]hexopyranoside | C29H28F3NO12

(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-[(trifluoroacetyl)amino]hexopyranoside

  • Molecular FormulaC29H28F3NO12
  • Average mass639.527 Da
  • Monoisotopic mass639.156372 Da
  • ChemSpider ID286421

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-[(trifluoroacetyl)amino]hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-[(trifluoracetyl)amino]hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-[(2,2,2-trifluoroacétyl)amino]hexopyranoside de (1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacétyl)-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(2,2,2-trifluoroacetyl)amino]hexopyranosyl]oxy]-, (8S,10S)- [ACD/Index Name]
(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(trifluoroacetyl)amino]hexopyranoside
2,2,2-Trifluoro-N-{3-hydroxy-2-methyl-6-[3,5,12-trihydroxy-3-(2-hydroxy-acetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacen-1-yloxy]-tetrahydro-pyran-4-yl}-acetamide
26295-56-7 [RN]
5,12-Naphthacenedione, 7,8,9, 10-tetrahydro-6,8, 11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3, 6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl ]oxy]-, (8S-cis)-
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-, (8S-cis)-
L-lyxo-Hexopyranoside, 3-glycoloyl-1,2,3,4,6,11-hexahydro-3,5, 12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3, 6-trideoxy-3-(2,2,2-trifluoroacetamido)-, (1S,3S)-α-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC283464 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 855.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.3±3.0 kJ/mol
Flash Point: 471.1±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.53
ACD/KOC (pH 5.5): 321.15
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 7.22
ACD/KOC (pH 7.4): 102.87
Polar Surface Area: 209 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 83.7±5.0 dyne/cm
Molar Volume: 384.3±5.0 cm3

Click to predict properties on the Chemicalize site


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