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Search term: 30830036 (Found by CSID)
ChemSpider 2D Image | ruthmycin | C21H22O7

ruthmycin

  • Molecular FormulaC21H22O7
  • Average mass386.395 Da
  • Monoisotopic mass386.136566 Da
  • ChemSpider ID30830036

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

[(1R,9R,12R,14R)-4,9-Dihydroxy-2,16-dioxo-14-propyl-13-oxatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7,10-tetraen-12-yl]acetic acid [ACD/IUPAC Name]
[(1R,9R,12R,14R)-4,9-Dihydroxy-2,16-dioxo-14-propyl-13-oxatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7,10-tetraen-12-yl]essigsäure [German] [ACD/IUPAC Name]
3H-5,10a-Propano-1H-naphtho[2,3-c]pyran-3-acetic acid, 5,10-dihydro-5,9-dihydroxy-10,12-dioxo-1-propyl-, (1R,3R,5R,10aR)- [ACD/Index Name]
Acide [(1R,9R,12R,14R)-4,9-dihydroxy-2,16-dioxo-14-propyl-13-oxatétracyclo[7.5.3.01,10.03,8]heptadéca-3,5,7,10-tétraén-12-yl]acétique [French] [ACD/IUPAC Name]
ruthmycin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 713.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 256.2±26.4 °C
Index of Refraction: 1.656
Molar Refractivity: 96.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 1.71
ACD/KOC (pH 5.5): 19.35
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 75.0±5.0 dyne/cm
Molar Volume: 262.3±5.0 cm3

Click to predict properties on the Chemicalize site


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