ChemSpider 2D Image | (1R,2S,3S)-3,10,12-Trihydroxy-2-methoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 6-deoxy-2-O-methyl-alpha-L-galactopyranoside | C27H28O12

(1R,2S,3S)-3,10,12-Trihydroxy-2-methoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 6-deoxy-2-O-methyl-α-L-galactopyranoside

  • Molecular FormulaC27H28O12
  • Average mass544.504 Da
  • Monoisotopic mass544.158081 Da
  • ChemSpider ID111319289

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,3S)-3,10,12-Trihydroxy-2-methoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 6-deoxy-2-O-methyl-α-L-galactopyranoside [ACD/IUPAC Name]
(1R,2S,3S)-3,10,12-Trihydroxy-2-methoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-6-desoxy-2-O-methyl-α-L-galactopyranosid [German] [ACD/IUPAC Name]
1,6,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2-O-methyl-α-L-galactopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3-methoxy-2-methyl-, (2S,3S,4R)- [ACD/Index Name]
6-Désoxy-2-O-méthyl-α-L-galactopyranoside de (1R,2S,3S)-3,10,12-trihydroxy-2-méthoxy-3-méthyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC 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: 764.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 255.4±26.4 °C
Index of Refraction: 1.685
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 4
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 78.52
ACD/KOC (pH 5.5): 571.03
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.16
Polar Surface Area: 189 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 87.8±5.0 dyne/cm
Molar Volume: 340.8±5.0 cm3

Click to predict properties on the Chemicalize site


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