ChemSpider 2D Image | (2R,3S,6S,8R,11S,12S,13R)-1-[(3S)-3-Acetoxy-5-methylene-2,4-dioxotetrahydro-3-furanyl]-13-[(2E)-2-buten-2-yl]-2,12-dimethyl-14,15-dioxatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadec-9-ene-6-carboxylic acid | C27H32O9

(2R,3S,6S,8R,11S,12S,13R)-1-[(3S)-3-Acetoxy-5-methylene-2,4-dioxotetrahydro-3-furanyl]-13-[(2E)-2-buten-2-yl]-2,12-dimethyl-14,15-dioxatetracyclo[10.2.1.02,11.03,8]pentadec-9-ene-6-carboxylic acid

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID4945354
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(2R,3S,6S,8R,11S,12S,13R)-1-[(3S)-3-Acetoxy-5-methylen-2,4-dioxotetrahydro-3-furanyl]-13-[(2E)-2-buten-2-yl]-2,12-dimethyl-14,15-dioxatetracyclo[10.2.1.02,11.03,8]pentadec-9-en-6-carbonsäure [German] [ACD/IUPAC Name]
(2R,3S,6S,8R,11S,12S,13R)-1-[(3S)-3-Acetoxy-5-methylene-2,4-dioxotetrahydro-3-furanyl]-13-[(2E)-2-buten-2-yl]-2,12-dimethyl-14,15-dioxatetracyclo[10.2.1.02,11.03,8]pentadec-9-ene-6-carboxylic acid [ACD/IUPAC Name]
1,4-Epoxy-1H-naphtho[1,2-c]pyran-8-carboxylic acid, 1-[(3S)-3-(acetyloxy)tetrahydro-5-methylene-2,4-dioxo-3-furanyl]-3,4,4a,6a,7,8,9,10,10a,10b-decahydro-4,10b-dimethyl-3-[(1E)-1-methyl-1-propen-1-yl] -, (3R,4S,4aS,6aR,8S,10aS,10bR)- [ACD/Index Name]
Acide (2R,3S,6S,8R,11S,12S,13R)-1-[(3S)-3-acétoxy-5-méthylène-2,4-dioxotétrahydro-3-furanyl]-13-[(2E)-2-butén-2-yl]-2,12-diméthyl-14,15-dioxatétracyclo[10.2.1.02,11.03,8]pentadéc-9-ène-6-carboxyli que [French] [ACD/IUPAC Name]
1,4-Epoxy-1H-naphtho(1,2-c)pyran-8-carboxylic acid, 1-(3-(acetyloxy)tetrahydro-5-methylene-2,4-dioxo-3-furanyl)-3,4,4a,6a,7,8,9,10,10a,10b-decahydro-4,10b-dimethyl-3-(1-methyl-1-propenyl)-, (1S-(1-α,1(S*),3-β(E),4-α,4a-β,6a-β,8-α,10a-α,10b-β))-
83512-61-2 [RN]
Antibiotic FR900109
FR900109

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

FR 900109 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 657.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 217.7±25.0 °C
Index of Refraction: 1.586
Molar Refractivity: 124.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 271.14
ACD/KOC (pH 5.5): 1059.51
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 4.27
ACD/KOC (pH 7.4): 16.69
Polar Surface Area: 125 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 371.9±5.0 cm3

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