Found 134 results

Search term: MF = 'C_{25}H_{39}NO_{6}'
ChemSpider 2D Image | lactomycin B | C25H39NO6

lactomycin B

  • Molecular FormulaC25H39NO6
  • Average mass449.580 Da
  • Monoisotopic mass449.277740 Da
  • ChemSpider ID64868956

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5S,6S)-6-{(1E,3R,4R,6R,7Z,9Z)-3-(2-Aminoethyl)-3,4,6-trihydroxy-10-[(1R,3S)-3-hydroxycyclohexyl]-1,7,9-decatrien-1-yl}-5-ethyl-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(5S,6S)-6-{(1E,3R,4R,6R,7Z,9Z)-3-(2-Aminoethyl)-3,4,6-trihydroxy-10-[(1R,3S)-3-hydroxycyclohexyl]-1,7,9-decatrien-1-yl}-5-ethyl-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(5S,6S)-6-{(1E,3R,4R,6R,7Z,9Z)-3-(2-Aminoéthyl)-3,4,6-trihydroxy-10-[(1R,3S)-3-hydroxycyclohexyl]-1,7,9-décatrién-1-yl}-5-éthyl-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[(1E,3R,4R,6R,7Z,9Z)-3-(2-aminoethyl)-3,4,6-trihydroxy-10-[(1R,3S)-3-hydroxycyclohexyl]-1,7,9-decatrien-1-yl]-5-ethyl-5,6-dihydro-, (5S,6S)- [ACD/Index Name]
lactomycin 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: 698.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.9±6.0 kJ/mol
Flash Point: 376.1±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 128.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.82
Polar Surface Area: 133 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 361.2±3.0 cm3

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