ChemSpider 2D Image | Binaltorphimine | C41H45N3O6

Binaltorphimine

  • Molecular FormulaC41H45N3O6
  • Average mass675.813 Da
  • Monoisotopic mass675.330811 Da
  • ChemSpider ID4588407

  • 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)-22-methyl-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]heptatriaco 
nta-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)-22-methyl-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]heptatriaco 
nta-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)-22-méthyl-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]heptatriaco 
nta-4(23),5(21),14(37),15,17,26(36),27,29-octaène-2,7,17,27-tétrol [French] [ACD/IUPAC Name]
105618-27-7 [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-20-methyl-, (4bS,8R,8aS ,10aS,11R,14aS,19aR,20bR)- [ACD/Index Name]
Binaltorphimine [Wiki]
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-20-methyl-, (8R-(4bS*,8α,8aβ,10aα,11β,14aS*,19aα,20bβ))-
Bni ligand

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.928
Molar Refractivity: 178.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.35
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 8.60
ACD/KOC (pH 7.4): 59.65
Polar Surface Area: 111 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 85.2±7.0 dyne/cm
Molar Volume: 375.3±7.0 cm3

Click to predict properties on the Chemicalize site


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