Found 10 results

Search term: MF = 'C_{31}H_{30}O_{14}'
ChemSpider 2D Image | 3-Methyl-9,10-dioxo-6-[(2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-9,10-dihydroanthracene-1,8-diyl diacetate | C31H30O14

3-Methyl-9,10-dioxo-6-[(2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-9,10-dihydroanthracene-1,8-diyl diacetate

  • Molecular FormulaC31H30O14
  • Average mass626.562 Da
  • Monoisotopic mass626.163574 Da
  • ChemSpider ID23340088

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Methyl-9,10-dioxo-6-[(2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-9,10-dihydroanthracene-1,8-diyl diacetate [ACD/IUPAC Name]
3-Methyl-9,10-dioxo-6-[(2,3,4-tri-O-acetyl-6-desoxy-α-L-mannopyranosyl)oxy]-9,10-dihydroanthracen-1,8-diyl-diacetat [German] [ACD/IUPAC Name]
9,10-Anthracenedione, 1,8-bis(acetyloxy)-3-methyl-6-[(2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]- [ACD/Index Name]
Diacétate de 3-méthyl-9,10-dioxo-6-[(2,3,4-tri-O-acétyl-6-désoxy-α-L-mannopyranosyl)oxy]-9,10-dihydroanthracène-1,8-diyle [French] [ACD/IUPAC Name]
Frangulin A peracetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 726.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 301.6±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 148.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 183.15
ACD/KOC (pH 5.5): 1449.89
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 183.15
ACD/KOC (pH 7.4): 1449.89
Polar Surface Area: 184 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 440.9±5.0 cm3

Click to predict properties on the Chemicalize site


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