ChemSpider 2D Image | (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aR)-4a,7,9-Trihydroxy-2-methyl-6,8-bis(methylamino)(3-~3~H_1_)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one | C14H23TN2O7

(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aR)-4a,7,9-Trihydroxy-2-methyl-6,8-bis(methylamino)(3-3H1)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one

  • Molecular FormulaC14H23TN2O7
  • Average mass334.358 Da
  • Monoisotopic mass334.166565 Da
  • ChemSpider ID57267820
  • defined stereocentres - 9 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aR)-4a,7,9-Trihydroxy-2-methyl-6,8-bis(methylamino)(3-3H1)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-on [German] [ACD/IUPAC Name]
(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aR)-4a,7,9-Trihydroxy-2-methyl-6,8-bis(methylamino)(3-3H1)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one [ACD/IUPAC Name]
(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aR)-4a,7,9-Trihydroxy-2-méthyl-6,8-bis(méthylamino)(3-3H1)décahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one [French] [ACD/IUPAC Name]
4H-Pyrano[2,3-b][1,4]benzodioxin-4-one-3-t, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aR)- [ACD/Index Name]
SPECTINOMYCIN[3H]

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

Density:
Boiling Point: 583.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.1±6.0 kJ/mol
Flash Point: 306.4±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -3.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability:
Surface Tension:
Molar Volume:

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