ChemSpider 2D Image | 5-{[(2E)-18-{6-[2-(9-Aminodecyl)-1,3-thiazol-4-yl]-3-methyltetrahydro-2H-pyran-2-yl}-5,7,9,13,15,17-hexahydroxy-2,4-dimethyl-2-octadecenoyl]amino}-12,16,18,26,30,32-hexahydroxy-24-methoxy-4,7,21-trime thyl-2-oxo-3,37-dioxa-39-azabicyclo[34.2.1]nonatriaconta-1(38),22,36(39)-trien-6-yl hydrogen sulfate | C79H140N4O22S2

5-{[(2E)-18-{6-[2-(9-Aminodecyl)-1,3-thiazol-4-yl]-3-methyltetrahydro-2H-pyran-2-yl}-5,7,9,13,15,17-hexahydroxy-2,4-dimethyl-2-octadecenoyl]amino}-12,16,18,26,30,32-hexahydroxy-24-methoxy-4,7,21-trime thyl-2-oxo-3,37-dioxa-39-azabicyclo[34.2.1]nonatriaconta-1(38),22,36(39)-trien-6-yl hydrogen sulfate

  • Molecular FormulaC79H140N4O22S2
  • Average mass1562.100 Da
  • Monoisotopic mass1560.940063 Da
  • ChemSpider ID4952625

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Octadecenamide, 18-[6-[2-(9-aminodecyl)-4-thiazolyl]tetrahydro-3-methyl-2H-pyran-2-yl]-N-[12,16,18,26,30,32-hexahydroxy-24-methoxy-4,7,21-trimethyl-2-oxo-6-(sulfooxy)-3,37-dioxa-39-azabicyclo[34.2.1 ]nonatriaconta-22,36(39),38-trien-5-yl]-5,7,9,13,15,17-hexahydroxy-2,4-dimethyl-, (2E)- [ACD/Index Name]
5-{[(2E)-18-{6-[2-(9-Aminodecyl)-1,3-thiazol-4-yl]-3-methyltetrahydro-2H-pyran-2-yl}-5,7,9,13,15,17-hexahydroxy-2,4-dimethyl-2-octadecenoyl]amino}-12,16,18,26,30,32-hexahydroxy-24-methoxy-4,7,21-trime thyl-2-oxo-3,37-dioxa-39-azabicyclo[34.2.1]nonatriaconta-1(38),22,36(39)-trien-6-yl hydrogen sulfate [ACD/IUPAC Name]
5-{[(2E)-18-{6-[2-(9-Aminodecyl)-1,3-thiazol-4-yl]-3-methyltetrahydro-2H-pyran-2-yl}-5,7,9,13,15,17-hexahydroxy-2,4-dimethyl-2-octadecenoyl]amino}-12,16,18,26,30,32-hexahydroxy-24-methoxy-4,7,21-trime thyl-2-oxo-3,37-dioxa-39-azabicyclo[34.2.1]nonatriaconta-1(38),22,36(39)-trien-6-ylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 5-{[(2E)-18-{6-[2-(9-aminodécyl)-1,3-thiazol-4-yl]-3-méthyltétrahydro-2H-pyran-2-yl}-5,7,9,13,15,17-hexahydroxy-2,4-diméthyl-2-octadecenoyl]amino}-12,16,18,26,30,32-hexahydroxy-24- méthoxy-4,7,21-triméthyl-2-oxo-3,37-dioxa-39-azabicyclo[34.2.1]nonatriaconta-1(38),22,36(39)-trién-6-yle [French] [ACD/IUPAC Name]
150243-49-5 [RN]
theonezolide A

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.577
Molar Refractivity: 414.0±0.4 cm3
#H bond acceptors: 26
#H bond donors: 16
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.13
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.14
Polar Surface Area: 482 Å2
Polarizability: 164.1±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 1249.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement