ChemSpider 2D Image | (3alpha,10xi,13xi,14xi,17xi)-19-{[(5-Bromo-3-pyridinyl)carbonyl]hydrazono}-3,5,14-trihydroxycard-20(22)-enolide | C29H36BrN3O6

(3α,10ξ,13ξ,14ξ,17ξ)-19-{[(5-Bromo-3-pyridinyl)carbonyl]hydrazono}-3,5,14-trihydroxycard-20(22)-enolide

  • Molecular FormulaC29H36BrN3O6
  • Average mass602.517 Da
  • Monoisotopic mass601.178711 Da
  • ChemSpider ID5050609

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(3α,10ξ,13ξ,14ξ,17ξ)-19-{[(5-Brom-3-pyridinyl)carbonyl]hydrazono}-3,5,14-trihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3α,10ξ,13ξ,14ξ,17ξ)-19-{[(5-Bromo-3-pyridinyl)carbonyl]hydrazono}-3,5,14-trihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3α,10ξ,13ξ,14ξ,17ξ)-19-{[(5-Bromo-3-pyridinyl)carbonyl]hydrazono}-3,5,14-trihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 19-[2-[(5-bromo-3-pyridinyl)carbonyl]hydrazinylidene]-3,5,14-trihydroxy-, (3α,10ξ,13ξ,14ξ,17ξ)- [ACD/Index Name]

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

CDS1_003108 [DBID]
ChemDiv1_026404 [DBID]
ChemDivAM_001102 [DBID]
DivK1c_004148 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 145.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.84
ACD/KOC (pH 5.5): 204.16
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.84
ACD/KOC (pH 7.4): 204.14
Polar Surface Area: 141 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 65.8±7.0 dyne/cm
Molar Volume: 367.8±7.0 cm3

Click to predict properties on the Chemicalize site


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