ChemSpider 2D Image | (1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranoside | C31H35NO11

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(4-morpholinyl)-α-L-lyxo-hexopyranoside

  • Molecular FormulaC31H35NO11
  • Average mass597.610 Da
  • Monoisotopic mass597.221008 Da
  • ChemSpider ID138520

  • defined stereocentres - 6 of 6 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 2,3,6-trideoxy-3-(4-morpholinyl)-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-2,3,6-tridesoxy-3-(4-morpholinyl)-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-(4-morpholinyl)-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]
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(4-morpholinyl)-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)- [ACD/Index Name]
79867-78-0 [RN]
3'-(4-Morpholinyl)-3'-deaminodaunorubicin
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-α-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, (8S-cis)-
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-α-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 805.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 441.0±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 148.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 7.93
ACD/KOC (pH 5.5): 87.08
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 17.77
ACD/KOC (pH 7.4): 195.26
Polar Surface Area: 172 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 82.4±5.0 dyne/cm
Molar Volume: 393.6±5.0 cm3

Click to predict properties on the Chemicalize site


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