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 3-amino-2,3,6-trideoxy-4-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-lyxo-hexopyranoside | C33H39NO14

(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-(6-deoxy-α-L-mannopyranosyl)-α-L-lyxo-hexopyranoside

  • Molecular FormulaC33H39NO14
  • Average mass673.661 Da
  • Monoisotopic mass673.237061 Da
  • ChemSpider ID9414349

  • defined stereocentres - 11 of 11 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-(6-deoxy-α-L-mannopyranosyl)-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-(6-desoxy-α-L-mannopyranosyl)-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
3-Amino-2,3,6-tridésoxy-4-O-(6-désoxy-α-L-mannopyranosyl)-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-10-[[3-amino-2,3,6-trideoxy-4-O-(6-deoxy-α-L-mannopyranosyl)-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 883.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.6±3.0 kJ/mol
Flash Point: 488.3±34.3 °C
Index of Refraction: 1.686
Molar Refractivity: 162.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.67
ACD/LogD (pH 5.5): -1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.84
Polar Surface Area: 245 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 90.3±5.0 dyne/cm
Molar Volume: 426.1±5.0 cm3

Click to predict properties on the Chemicalize site


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