ChemSpider 2D Image | (2S,3S,4S,6R)-6-{8-[(2R,4R,5S,6R)-4-(Dimethylammonio)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-2-[(2S,2'R,3R,3'S)-3,3'-dimethyl-2,2'-bioxir-3-yl]-11-hydroxy-5-methyl-4,7,12-trioxo-7,12-dihydro-4H-n aphtho[2,3-h]chromen-10-yl}-3-hydroxy-N,N,2,4-tetramethyltetrahydro-2H-pyran-4-aminium | C41H52N2O11

(2S,3S,4S,6R)-6-{8-[(2R,4R,5S,6R)-4-(Dimethylammonio)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-2-[(2S,2'R,3R,3'S)-3,3'-dimethyl-2,2'-bioxir-3-yl]-11-hydroxy-5-methyl-4,7,12-trioxo-7,12-dihydro-4H-n aphtho[2,3-h]chromen-10-yl}-3-hydroxy-N,N,2,4-tetramethyltetrahydro-2H-pyran-4-aminium

  • Molecular FormulaC41H52N2O11
  • Average mass748.857 Da
  • Monoisotopic mass748.356018 Da
  • ChemSpider ID4883384

  • Charge - Charge

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2S,3S,4S,6R)-6-{8-[(2R,4R,5S,6R)-4-(Dimethylammonio)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-2-[(2S,2'R,3R,3'S)-3,3'-dimethyl-2,2'-bioxir-3-yl]-11-hydroxy-5-methyl-4,7,12-trioxo-7,12-dihydro-4H-n aphtho[2,3-h]chromen-10-yl}-3-hydroxy-N,N,2,4-tetramethyltetrahydro-2H-pyran-4-aminium [ACD/IUPAC Name]
(2S,3S,4S,6R)-6-{8-[(2R,4R,5S,6R)-4-(Diméthylammonio)-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-2-[(2S,2'R,3R,3'S)-3,3'-diméthyl-2,2'-bioxir-3-yl]-11-hydroxy-5-méthyl-4,7,12-trioxo-7,12-dihydro-4H-n aphto[2,3-h]chromén-10-yl}-3-hydroxy-N,N,2,4-tétraméthyltétrahydro-2H-pyran-4-aminium [French] [ACD/IUPAC Name]
hedamycin
HEH

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

Density:
Boiling Point: 888.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 491.2±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 1.72
ACD/KOC (pH 7.4): 9.15
Polar Surface Area: 174 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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