ChemSpider 2D Image | Norbinaltorphimine | C40H43N3O6

Norbinaltorphimine

  • Molecular FormulaC40H43N3O6
  • Average mass661.786 Da
  • Monoisotopic mass661.315186 Da
  • ChemSpider ID21248347
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-Bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.018,37.030,36]heptatriaconta-4(23), 5(21),14(37),15,17,26(36),27,29-octaen-2,7,17,27-tetrol [German] [ACD/IUPAC Name]
(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-Bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.018,37.030,36]heptatriaconta-4(23), 5(21),14(37),15,17,26(36),27,29-octaene-2,7,17,27-tetrol [ACD/IUPAC Name]
(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-Bis(cyclopropylméthyl)-19,25-dioxa-11,22,33-triazaundécacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.018,37.030,36]heptatriaconta-4(23), 5(21),14(37),15,17,26(36),27,29-octaène-2,7,17,27-tétrol [French] [ACD/IUPAC Name]
4,8:11,15-Dimethano-20H-bisbenzofuro[2,3-a:3',2'-i]dipyrido[4,3-b:3',4'-h]carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-, (4bS,8R,8aS,10aS,11R, 14aS,19aR,20bR)- [ACD/Index Name]
Norbinaltorphimine [Wiki]
(1S,2S,7S,8R,12S,20R,24R,32R)-9,33-bis(cyclopropylmethyl)-19,25-dioxa-9,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.012,20.013,18.030,36]heptatriaconta-4(23),5(21),13,15,17,26,28,30(36)-octaene-2,7,17,27-tetrol
(4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)-7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,20,20b-dodecahydro-19aH-4,8:11,15-dimethanobis[1]benzofuro[2,3-a:3',2'-i]dipyrido[4,3-b:3',4'-h]carbazole-1,8a,10a,18-tetrol
105618-26-6 [RN]
4,8:11,15-dimethano-20H-bisbenzofuro[2,3-a:3',2'-i]dipyrido[4,3-b:3',4'-h]carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-, (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)-
nor-binaltorphimine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.834
Molar Refractivity: 178.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.89
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 3.65
ACD/KOC (pH 7.4): 31.19
Polar Surface Area: 122 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 106.4±5.0 dyne/cm
Molar Volume: 404.0±5.0 cm3

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