ChemSpider 2D Image | rutamycin | C44H72O11

rutamycin

  • Molecular FormulaC44H72O11
  • Average mass777.036 Da
  • Monoisotopic mass776.507446 Da
  • ChemSpider ID34984476

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(1S,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27R,29R)-22-Ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,29-octamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-sp iro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione [ACD/IUPAC Name]
1404-59-7 [RN]
rutamycin [INN]
Spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-[2H]pyran]-3,9,13-trione, 22-ethyl-3',4',5',6'-tetrahydro-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,29-octamethy l-, (1S,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27R,29R)- [ACD/Index Name]
26-Demethyloligomycin A
Antibiotic A 272
Oligomycin D
Oligomycins
rutamycin A
UNII-14JVM0OHLV
More...

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

A 272 [DBID]
A-272 [DBID]
  • Miscellaneous

    • Chemical Class:

      An oligomycin with formula C44H72O11 that is oligomycin A in which the methyl substituent adjacent to the spirocyclic centre has been replaced by a hydrogen. ChEBI CHEBI:7753

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

Density: 1.2±0.1 g/cm3
Boiling Point: 883.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.8±6.0 kJ/mol
Flash Point: 253.0±27.8 °C
Index of Refraction: 1.545
Molar Refractivity: 212.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5411.00
ACD/KOC (pH 5.5): 16363.34
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5410.95
ACD/KOC (pH 7.4): 16363.18
Polar Surface Area: 180 Å2
Polarizability: 84.2±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 671.6±5.0 cm3

Click to predict properties on the Chemicalize site


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