ChemSpider 2D Image | [(2R)-1-{(1R)-1-[(1R,5S,6R,8R,12R,14S,17R,18R,22S,24E,28S,30S,33R)-12,28-Dihydroxy-1,2,18,19-tetra(hydroxy-kappaO)-6,13,13,17,29,29,33-heptamethyl-3,20-dioxo-4,7,21,34,35-pentaoxatetracyclo[28.3.1.1~5 ,8~.1~14,18~]hexatriacont-24-en-22-yl]ethoxy}-3-methyl-1-oxo-2-butanaminiumato(4-)]boron | C45H74BNO15

[(2R)-1-{(1R)-1-[(1R,5S,6R,8R,12R,14S,17R,18R,22S,24E,28S,30S,33R)-12,28-Dihydroxy-1,2,18,19-tetra(hydroxy-κO)-6,13,13,17,29,29,33-heptamethyl-3,20-dioxo-4,7,21,34,35-pentaoxatetracyclo[28.3.1.15 ,8.114,18]hexatriacont-24-en-22-yl]ethoxy}-3-methyl-1-oxo-2-butanaminiumato(4-)]boron

  • Molecular FormulaC45H74BNO15
  • Average mass879.878 Da
  • Monoisotopic mass879.515137 Da
  • ChemSpider ID4940708

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 17 defined stereocentres

More details:

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

[(2R)-1-{(1R)-1-[(1R,5S,6R,8R,12R,14S,17R,18R,22S,24E,28S,30S,33R)-12,28-Dihydroxy-1,2,18,19-tetra(hydroxy-κO)-6,13,13,17,29,29,33-heptamethyl-3,20-dioxo-4,7,21,34,35-pentaoxatetracyclo[28.3.1.15 ,8.114,18]hexatriacont-24-en-22-yl]ethoxy}-3-methyl-1-oxo-2-butanaminiumato(4-)]bor [German] [ACD/IUPAC Name]
[(2R)-1-{(1R)-1-[(1R,5S,6R,8R,12R,14S,17R,18R,22S,24E,28S,30S,33R)-12,28-Dihydroxy-1,2,18,19-tétra(hydroxy-κO)-6,13,13,17,29,29,33-heptaméthyl-3,20-dioxo-4,7,21,34,35-pentaoxatétracyclo[28.3.1.15 ,8.114,18]hexatriacont-24-én-22-yl]éthoxy}-3-méthyl-1-oxo-2-butanaminiumato(4-)]bore [French] [ACD/IUPAC Name]
[(2R)-1-{(1R)-1-[(1R,5S,6R,8R,12R,14S,17R,18R,22S,24E,28S,30S,33R)-12,28-Dihydroxy-1,2,18,19-tetra(hydroxy-κO)-6,13,13,17,29,29,33-heptamethyl-3,20-dioxo-4,7,21,34,35-pentaoxatetracyclo[28.3.1.15 ,8.114,18]hexatriacont-24-en-22-yl]ethoxy}-3-methyl-1-oxo-2-butanaminiumato(4-)]boron [ACD/IUPAC Name]
Boron, [(2R)-1-[(1R)-1-[(1R,5S,6R,8R,12R,14S,17R,18R,22S,24E,28S,30S,33R)-12,28-dihydroxy-1,2,18,19-tetra(hydroxy-κO)-6,13,13,17,29,29,33-heptamethyl-3,20-dioxo-4,7,21,34,35-pentaoxatetracyclo[28. 3.1.15,8.114,18]hexatriacont-24-en-22-yl]ethoxy]-3-methyl-1-oxo-2-butanaminiumato(4-)]- [ACD/Index Name]
boromycin [Wiki]

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

ETH 28829 [DBID]
NSC 121380 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 212 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement