Found 3 results

Search term: MF = 'C_{41}H_{39}N_{3}O_{9}'
ChemSpider 2D Image | (6beta,11beta,14R,15beta,20xi)-15-(Benzyloxy)hetisan-6,11-diyl bis(4-nitrobenzoate) | C41H39N3O9

(6β,11β,14R,15β,20ξ)-15-(Benzyloxy)hetisan-6,11-diyl bis(4-nitrobenzoate)

  • Molecular FormulaC41H39N3O9
  • Average mass717.763 Da
  • Monoisotopic mass717.268616 Da
  • ChemSpider ID23311485

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(6β,11β,14R,15β,20ξ)-15-(Benzyloxy)hetisan-6,11-diyl bis(4-nitrobenzoate) [ACD/IUPAC Name]
(6β,11β,14R,15β,20ξ)-15-(Benzyloxy)hetisan-6,11-diyl-bis(4-nitrobenzoat) [German] [ACD/IUPAC Name]
Bis(4-nitrobenzoate) de (6β,11β,14R,15β,20ξ)-15-(benzyloxy)hetisan-6,11-diyle [French] [ACD/IUPAC Name]
Hetisan-6,11-diol, 15-(phenylmethoxy)-, bis(4-nitrobenzoate) (ester), (6β,11β,14R,15β,20ξ)- [ACD/Index Name]
15-benzoyl-6,11-di-p-nitrobenzoylpseudokobusine

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: 1.699
Molar Refractivity: 189.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 8.02
ACD/LogD (pH 5.5): 7.69
ACD/BCF (pH 5.5): 396753.94
ACD/KOC (pH 5.5): 337425.38
ACD/LogD (pH 7.4): 7.76
ACD/BCF (pH 7.4): 468556.59
ACD/KOC (pH 7.4): 398491.03
Polar Surface Area: 157 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 490.0±5.0 cm3

Click to predict properties on the Chemicalize site


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