ChemSpider 2D Image | [(1R)-1-[(1R,2R,6R,8R,12R,17R,18R,19R,22S,24Z,28S,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]ethyl D-valinatato(4-)]borate(1-) | C45H73BNO15

[(1R)-1-[(1R,2R,6R,8R,12R,17R,18R,19R,22S,24Z,28S,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]ethyl D-valinatato(4-)]borate(1-)

  • Molecular FormulaC45H73BNO15
  • Average mass878.870 Da
  • Monoisotopic mass878.507874 Da
  • ChemSpider ID28282274

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 17 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

[(1R)-1-[(1R,2R,6R,8R,12R,17R,18R,19R,22S,24Z,28S,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]ethyl D-valinatato(4-)]borate(1-) [ACD/IUPAC Name]
Borate(1-), [D-valinato(4-), (1R)-1-[(1R,2R,6R,8R,12R,17R,18R,19R,22S,24Z,28S,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-pentaoxatetra cyclo[28.3.1.15,8.114,18]hexatriacont-24-en-22-yl]ethyl ester]- [ACD/Index Name]
boromycin [Wiki]

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: 210 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement