ChemSpider 2D Image | Tetromycin B | C34H46O5

Tetromycin B

  • Molecular FormulaC34H46O5
  • Average mass534.726 Da
  • Monoisotopic mass534.334534 Da
  • ChemSpider ID68004039

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,3R,6R,7E,13R,16S,17S,20S,21R,22S)-17,27-Dihydroxy-3,4,6,8,12,14,20,22-octamethyl-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,24(27)-pentaen-23,25-dion [German] [ACD/IUPAC Name]
(1S,3R,6R,7E,13R,16S,17S,20S,21R,22S)-17,27-Dihydroxy-3,4,6,8,12,14,20,22-octamethyl-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,24(27)-pentaene-23,25-dione [ACD/IUPAC Name]
(1S,3R,6R,7E,13R,16S,17S,20S,21R,22S)-17,27-Dihydroxy-3,4,6,8,12,14,20,22-octaméthyl-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,24(27)-pentaène-23,25-dione [French] [ACD/IUPAC Name]
16a,19-Metheno-18H-benzo[b]naphth[2,1-j]oxacyclotetradecin-18,20(1H)-dione, 2,3,4,4a,6a,9,10,12a,15,16,20a,20b-dodecahydro-4,21-dihydroxy-1,6,7,11,12a,14,15,20a-octamethyl-, (1S,4S,4aS,6aR,11E,12aR,15 R,16aS,20aS,20bR)- [ACD/Index Name]
180027-84-3 [RN]
Tetromycin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 680.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.2±6.0 kJ/mol
Flash Point: 212.3±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 8.13
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 30433.69
ACD/KOC (pH 5.5): 28382.81
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 526.09
ACD/KOC (pH 7.4): 490.64
Polar Surface Area: 84 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 454.5±5.0 cm3

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