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Search term: SCVGLVGTMYJVOI-AAYFJTACSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 21-hydroxy Oligomycin A | C45H74O12

21-hydroxy Oligomycin A

  • Molecular FormulaC45H74O12
  • Average mass807.062 Da
  • Monoisotopic mass806.518005 Da
  • ChemSpider ID17272226

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 19 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22S,23R,25S,27R,28S,29R)-22-Ethyl-7,11,14,15,23-pentahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydr o-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione [ACD/IUPAC Name]
102042-09-1 [RN]
21-hydroxy Oligomycin A
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-7,11,14,15,23-pentahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-non amethyl-, (1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22S,23R,25S,27R,28S,29R)- [ACD/Index Name]
21-Hydroxy-Oligomycin
21-Hydroxyoligomycin A
E21

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

Density: 1.2±0.1 g/cm3
Boiling Point: 916.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.3±6.0 kJ/mol
Flash Point: 261.4±27.8 °C
Index of Refraction: 1.550
Molar Refractivity: 218.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1258.05
ACD/KOC (pH 5.5): 5759.21
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1258.04
ACD/KOC (pH 7.4): 5759.15
Polar Surface Area: 200 Å2
Polarizability: 86.6±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 685.9±5.0 cm3

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