ChemSpider 2D Image | (1S,4R,5R,13R,14S,17R)-4-(~2~H_3_)Methyl-12-oxa-4-azapentacyclo[9.6.1.0~1,13~.0~5,17~.0~7,18~]octadeca-7(18),8,10,15-tetraene-10,14-diol 4-oxide | C17H16D3NO4

(1S,4R,5R,13R,14S,17R)-4-(2H3)Methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol 4-oxide

  • Molecular FormulaC17H16D3NO4
  • Average mass304.355 Da
  • Monoisotopic mass304.150238 Da
  • ChemSpider ID48061634
  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(1S,4R,5R,13R,14S,17R) 4-Oxyde de 4-(2H3)méthyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadéca-7(18),8,10,15-tétraène-10,14-diol [French] [ACD/IUPAC Name]
(1S,4R,5R,13R,14S,17R)-4-(2H3)Methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-10,14-diol-4-oxid [German] [ACD/IUPAC Name]
(1S,4R,5R,13R,14S,17R)-4-(2H3)Methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol 4-oxide [ACD/IUPAC Name]
4,12-Methano-1H-benzofuro[3,2-e]isoquinoline-7,9-diol, 2,3,4,4a,7,7a-hexahydro-3-(methyl-d3)-, 3-oxide, (3R,4R,4aR,7S,7aR,12bS)- [ACD/Index Name]
(3R,4R,4aR,7S,7aR,12bS)-3-oxido-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-7,9-diol
1261080-31-2 [RN]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.15
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.13
Polar Surface Area: 67 Å2
Polarizability:
Surface Tension:
Molar Volume:

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