ChemSpider 2D Image | (1S,4R,5R,13R,14S,17R)-10-Methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0~1,13~.0~5,17~.0~7,18~]octadeca-7(18),8,10,15-tetraen-14-ol 4-oxide | C18H21NO4

(1S,4R,5R,13R,14S,17R)-10-Methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol 4-oxide

  • Molecular FormulaC18H21NO4
  • Average mass315.364 Da
  • Monoisotopic mass315.147064 Da
  • ChemSpider ID48058378
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(1S,4R,5R,13R,14S,17R) 4-Oxyde de 10-méthoxy-4-méthyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadéca-7(18),8,10,15-tétraén-14-ol [French] [ACD/IUPAC Name]
(1S,4R,5R,13R,14S,17R)-10-Methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol 4-oxide [ACD/IUPAC Name]
(1S,4R,5R,13R,14S,17R)-10-Methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol-4-oxid [German] [ACD/IUPAC Name]
4,12-Methano-1H-benzofuro[3,2-e]isoquinolin-7-ol, 2,3,4,4a,7,7a-hexahydro-9-methoxy-3-methyl-, 3-oxide, (3R,4R,4aR,7S,7aR,12bS)- [ACD/Index Name]
(3R,4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-3-oxido-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-7-ol
60827-70-5 [RN]

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.25
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.09
Polar Surface Area: 56 Å2
Polarizability:
Surface Tension:
Molar Volume:

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