ChemSpider 2D Image | Vulgamycin | C22H20O10

Vulgamycin

  • Molecular FormulaC22H20O10
  • Average mass444.388 Da
  • Monoisotopic mass444.105652 Da
  • ChemSpider ID65321521

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(1S,2S,3R,6R,8R,9S)-2-Benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-2-oxo-2H-pyran-6-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-on [German] [ACD/IUPAC Name]
(1S,2S,3R,6R,8R,9S)-2-Benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-2-oxo-2H-pyran-6-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one [ACD/IUPAC Name]
(1S,2S,3R,6R,8R,9S)-2-Benzoyl-1,3,8,10-tétrahydroxy-9-(4-méthoxy-2-oxo-2H-pyran-6-yl)-5-oxatricyclo[4.3.1.03,8]décan-4-one [French] [ACD/IUPAC Name]
3,6-Methanocyclopenta[c]pyran-1(3H)-one, 7-benzoylhexahydro-4a,6,7a,8-tetrahydroxy-5-(4-methoxy-2-oxo-2H-pyran-6-yl)-, (3R,4aR,5S,6S,7S,7aR)- [ACD/Index Name]
Vulgamycin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 726.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 257.4±26.4 °C
Index of Refraction: 1.712
Molar Refractivity: 103.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.24
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.23
Polar Surface Area: 160 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 92.0±5.0 dyne/cm
Molar Volume: 264.7±5.0 cm3

Click to predict properties on the Chemicalize site


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