ChemSpider 2D Image | (8,11-Dihydroxy-2-{(2S,3S)-2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}-4,7,12-trioxo-7,12-dihydro-4H-naphtho[2,3-h]chromen-5-yl)acetic acid | C25H18O9

(8,11-Dihydroxy-2-{(2S,3S)-2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}-4,7,12-trioxo-7,12-dihydro-4H-naphtho[2,3-h]chromen-5-yl)acetic acid

  • Molecular FormulaC25H18O9
  • Average mass462.405 Da
  • Monoisotopic mass462.095093 Da
  • ChemSpider ID59701375
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(8,11-Dihydroxy-2-{(2S,3S)-2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}-4,7,12-trioxo-7,12-dihydro-4H-naphtho[2,3-h]chromen-5-yl)acetic acid [ACD/IUPAC Name]
(8,11-Dihydroxy-2-{(2S,3S)-2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}-4,7,12-trioxo-7,12-dihydro-4H-naphtho[2,3-h]chromen-5-yl)essigsäure [German] [ACD/IUPAC Name]
4H-Anthra[1,2-b]pyran-5-acetic acid, 7,12-dihydro-8,11-dihydroxy-2-[(2S,3S)-2-methyl-3-[(1E)-1-propen-1-yl]oxiranyl]-4,7,12-trioxo- [ACD/Index Name]
Acide (8,11-dihydroxy-2-{(2S,3S)-2-méthyl-3-[(1E)-1-propén-1-yl]-2-oxiranyl}-4,7,12-trioxo-7,12-dihydro-4H-naphto[2,3-h]chromén-5-yl)acétique [French] [ACD/IUPAC Name]
Sapurimycin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 796.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 278.8±26.4 °C
Index of Refraction: 1.765
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 13.08
ACD/KOC (pH 5.5): 67.25
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 93.9±3.0 dyne/cm
Molar Volume: 281.3±3.0 cm3

Click to predict properties on the Chemicalize site






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