ChemSpider 2D Image | Estrarubicin | C34H30O6

Estrarubicin

  • Molecular FormulaC34H30O6
  • Average mass534.598 Da
  • Monoisotopic mass534.204224 Da
  • ChemSpider ID8872926

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4bS,6aS,6bS,7aS,16bS,17aS,17bR)-2,9,16-Trihydroxy-6a-methyl-4b,5,6,6a,7a,8,16b,17,17a,17b,18,19-dodecahydronaphtho[2'',1'':4',5']indeno[1',2':3,4]tetraceno[2,3-b]oxiren-10,15-dion [German] [ACD/IUPAC Name]
(4bS,6aS,6bS,7aS,16bS,17aS,17bR)-2,9,16-Trihydroxy-6a-methyl-4b,5,6,6a,7a,8,16b,17,17a,17b,18,19-dodecahydronaphtho[2'',1'':4',5']indeno[1',2':3,4]tetraceno[2,3-b]oxirene-10,15-dione [ACD/IUPAC Name]
(4bS,6aS,6bS,7aS,16bS,17aS,17bR)-2,9,16-Trihydroxy-6a-méthyl-4b,5,6,6a,7a,8,16b,17,17a,17b,18,19-dodécahydronaphto[2'',1'':4',5']indéno[1',2':3,4]tétracéno[2,3-b]oxirène-10,15-dione [French] [ACD/IUPAC Name]
Estrarubicin
Naphth[2'',1'':4',5']indeno[1',2':3,4]naphthaceno[2,3-b]oxirene-10,15-dione, 4b,5,6,6a,7a,8,16b,17,17a,17b,18,19-dodecahydro-2,9,16-trihydroxy-6a-methyl-, (4bS,6aS,6bS,7aS,16bS,17aS,17bR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.769
Molar Refractivity: 144.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 8.30
ACD/LogD (pH 5.5): 7.80
ACD/BCF (pH 5.5): 500441.38
ACD/KOC (pH 5.5): 417195.75
ACD/LogD (pH 7.4): 7.62
ACD/BCF (pH 7.4): 326413.22
ACD/KOC (pH 7.4): 272116.19
Polar Surface Area: 107 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 87.8±5.0 dyne/cm
Molar Volume: 348.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement