ChemSpider 2D Image | (4R,5R)-8,10-Dibromo-N-{3-[2,6-dibromo-4-(2-{[(2,5-dioxo-3-cyclopenten-1-ylidene)methyl]amino}-1-hydroxyethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxa
mide | C27H25Br4N3O9

(4R,5R)-8,10-Dibromo-N-{3-[2,6-dibromo-4-(2-{[(2,5-dioxo-3-cyclopenten-1-ylidene)methyl]amino}-1-hydroxyethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxa mide

  • Molecular FormulaC27H25Br4N3O9
  • Average mass855.118 Da
  • Monoisotopic mass850.832397 Da
  • ChemSpider ID30818486
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(4R,5R)-8,10-Dibrom-N-{3-[2,6-dibrom-4-(2-{[(2,5-dioxo-3-cyclopenten-1-yliden)methyl]amino}-1-hydroxyethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-trien-3-carboxamid [German] [ACD/IUPAC Name]
(4R,5R)-8,10-Dibromo-N-{3-[2,6-dibromo-4-(2-{[(2,5-dioxo-3-cyclopenten-1-ylidene)methyl]amino}-1-hydroxyethyl)phenoxy]propyl}-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxa mide [ACD/IUPAC Name]
(4R,5R)-8,10-Dibromo-N-{3-[2,6-dibromo-4-(2-{[(2,5-dioxo-3-cyclopentén-1-ylidène)méthyl]amino}-1-hydroxyéthyl)phénoxy]propyl}-4-hydroxy-9-méthoxy-1,6-dioxa-2-azaspiro[4.6]undéca-2,7,9-triène-3-carboxa mide [French] [ACD/IUPAC Name]
1,6-Dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide, 8,10-dibromo-N-[3-[2,6-dibromo-4-[2-[[(2,5-dioxo-3-cyclopenten-1-ylidene)methyl]amino]-1-hydroxyethyl]phenoxy]propyl]-4-hydroxy-9-methoxy-, (4R,5R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 166.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 137.54
ACD/KOC (pH 5.5): 1181.10
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 137.49
ACD/KOC (pH 7.4): 1180.72
Polar Surface Area: 165 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 433.5±7.0 cm3

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