ChemSpider 2D Image | (1S,2S,7S,8S,12R,20R,24R,32R)-11,33-Bis(cyclopropylmethyl)-2,7-dihydroxy-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.1~8,14~.0~1,24~.0~2,32~.0~4,23~.0~5,21~.0~7,12~.0~8,20~.0~18,37~.0~30,36~]heptatr iaconta-14(37),15,17,26(36),27,29-hexaene-17,27-dicarboxamide | C42H49N5O6

(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-Bis(cyclopropylmethyl)-2,7-dihydroxy-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]heptatr iaconta-14(37),15,17,26(36),27,29-hexaene-17,27-dicarboxamide

  • Molecular FormulaC42H49N5O6
  • Average mass719.868 Da
  • Monoisotopic mass719.368286 Da
  • ChemSpider ID24713153

  • defined stereocentres - 8 of 12 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)-2,7-dihydroxy-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]heptatr iaconta-14(37),15,17,26(36),27,29-hexaen-17,27-dicarboxamid [German] [ACD/IUPAC Name]
(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-Bis(cyclopropylmethyl)-2,7-dihydroxy-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]heptatr iaconta-14(37),15,17,26(36),27,29-hexaene-17,27-dicarboxamide [ACD/IUPAC Name]
(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-Bis(cyclopropylméthyl)-2,7-dihydroxy-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]heptatr iaconta-14(37),15,17,26(36),27,29-hexaène-17,27-dicarboxamide [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-1,18-dicarboxamide, 7,12-bis(cyclopropylmethyl)-5,6,7,8,8a,9,9a,9b,10,10a,11,12,13,14,19a,19b,20a,20b-octadecahydro- 8a,10a-dihydroxy-, (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)- [ACD/Index Name]
CHEMBL506457

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: 1.780
Molar Refractivity: 193.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.90
ACD/LogD (pH 5.5): -2.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.45
Polar Surface Area: 164 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 94.3±5.0 dyne/cm
Molar Volume: 460.3±5.0 cm3

Click to predict properties on the Chemicalize site


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