ChemSpider 2D Image | Phoslactomycin B | C25H40NO8P

Phoslactomycin B

  • Molecular FormulaC25H40NO8P
  • Average mass513.561 Da
  • Monoisotopic mass513.249146 Da
  • ChemSpider ID9671990

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1E,3R,4R,6R,7Z,9Z)-3-(2-Aminoethyl)-10-cyclohexyl-1-[(2S,3S)-3-ethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-3,6-dihydroxy-1,7,9-decatrien-4-yl dihydrogen phosphate [ACD/IUPAC Name]
(1E,3R,4R,6R,7Z,9Z)-3-(2-Aminoethyl)-10-cyclohexyl-1-[(2S,3S)-3-ethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-3,6-dihydroxy-1,7,9-decatrien-4-yldihydrogenphosphat [German] [ACD/IUPAC Name]
(5S,6S)-6-[(1E,3R,4R,6R,7Z,9Z)-3-(2-Aminoethyl)-10-cyclohexyl-3,6-dihydroxy-4-(phosphonooxy)-1,7,9-decatrien-1-yl]-5-ethyl-5,6-dihydro-2H-pyran-2-one
122856-26-2 [RN]
2H-Pyran-2-one, 6-[(1E,3R,4R,6R,7Z,9Z)-3-(2-aminoethyl)-10-cyclohexyl-3,6-dihydroxy-4-(phosphonooxy)-1,7,9-decatrien-1-yl]-5-ethyl-5,6-dihydro-, (5S,6S)- [ACD/Index Name]
Dihydrogénophosphate de (1E,3R,4R,6R,7Z,9Z)-3-(2-aminoéthyl)-10-cyclohexyl-1-[(2S,3S)-3-éthyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-3,6-dihydroxy-1,7,9-décatrién-4-yle [French] [ACD/IUPAC Name]
Phoslactomycin B
(+)-phoslactomycin B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 753.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.2±6.0 kJ/mol
Flash Point: 409.3±35.7 °C
Index of Refraction: 1.615
Molar Refractivity: 136.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 392.2±3.0 cm3

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