ChemSpider 2D Image | branimycin C | C24H36O9

branimycin C

  • Molecular FormulaC24H36O9
  • Average mass468.537 Da
  • Monoisotopic mass468.235931 Da
  • ChemSpider ID61362110

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1S,3R,4R,5R,6R,7S,8R,11R,12S,15S,16R,17E)-15-[(1R)-1,2-Dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.01,7.03,8]octadeca-9,17-dien-13-on [German] [ACD/IUPAC Name]
(1S,3R,4R,5R,6R,7S,8R,11R,12S,15S,16R,17E)-15-[(1R)-1,2-Dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.01,7.03,8]octadeca-9,17-dien-13-one [ACD/IUPAC Name]
(1S,3R,4R,5R,6R,7S,8R,11R,12S,15S,16R,17E)-15-[(1R)-1,2-Dihydroxyéthyl]-4,6-dihydroxy-5,12-bis(méthoxyméthyl)-16,18-diméthyl-2,14-dioxatétracyclo[9.7.0.01,7.03,8]octadéca-9,17-dién-13-one [French] [ACD/IUPAC Name]
6H-10,13b-Epoxynaphth[2,1-d]oxonin-6-one, 4-[(1R)-1,2-dihydroxyethyl]-3,4,7,7a,9a,10,11,12,13,13a-decahydro-11,13-dihydroxy-7,12-bis(methoxymethyl)-1,3-dimethyl-, (1E,3R,4S,7S,7aR,9aR,10R,11R,12R,13R, 13aS,13bS)- [ACD/Index Name]
branimycin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 695.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.4±6.0 kJ/mol
Flash Point: 234.5±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 117.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.18
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.18
Polar Surface Area: 135 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 351.1±5.0 cm3

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