Found 1 result

Search term: 76786890 (Found by CSID)
ChemSpider 2D Image | (2S,11S,15R,17R)-2,4-Dihydroxy-17-methyl-7-[(2R,5S,6R)-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]-12,16,18-trioxapentacyclo[8.7.1.0~1,10~.0~3,8~.0~11,15~]octadeca-3,5,7-triene-9,13-dione | C23H27NO8

(2S,11S,15R,17R)-2,4-Dihydroxy-17-methyl-7-[(2R,5S,6R)-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]-12,16,18-trioxapentacyclo[8.7.1.01,10.03,8.011,15]octadeca-3,5,7-triene-9,13-dione

  • Molecular FormulaC23H27NO8
  • Average mass445.462 Da
  • Monoisotopic mass445.173676 Da
  • ChemSpider ID76786890

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(2S,11S,15R,17R)-2,4-Dihydroxy-17-methyl-7-[(2R,5S,6R)-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]-12,16,18-trioxapentacyclo[8.7.1.01,10.03,8.011,15]octadeca-3,5,7-trien-9,13-dion [German] [ACD/IUPAC Name]
(2S,11S,15R,17R)-2,4-Dihydroxy-17-methyl-7-[(2R,5S,6R)-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]-12,16,18-trioxapentacyclo[8.7.1.01,10.03,8.011,15]octadeca-3,5,7-triene-9,13-dione [ACD/IUPAC Name]
(2S,11S,15R,17R)-2,4-Dihydroxy-17-méthyl-7-[(2R,5S,6R)-6-méthyl-5-(méthylamino)tétrahydro-2H-pyran-2-yl]-12,16,18-trioxapentacyclo[8.7.1.01,10.03,8.011,15]octadéca-3,5,7-triène-9,13-dione [French] [ACD/IUPAC Name]
5a,11a-Epoxy-5H-furo[3,2-b]naphtho[2,3-d]pyran-2,11(3H,6H)-dione, 3a,11b-dihydro-6,7-dihydroxy-5-methyl-10-[(2R,5S,6R)-tetrahydro-6-methyl-5-(methylamino)-2H-pyran-2-yl]-, (3aR,5R,6S,11bS)- [ACD/Index Name]
Qinimycin A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 694.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 373.8±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 109.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 297.8±5.0 cm3

Click to predict properties on the Chemicalize site


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