ChemSpider 2D Image | (1S,18S,20R,21R)-4,5-Dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0~1,18~.0~2,7~.0~8,22~.0~11,21~.0~15,20~]tetracosa-2,4,6,14-tetraen-9-one 17-oxide | C23H26N2O5

(1S,18S,20R,21R)-4,5-Dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.01,18.02,7.08,22.011,21.015,20]tetracosa-2,4,6,14-tetraen-9-one 17-oxide

  • Molecular FormulaC23H26N2O5
  • Average mass410.463 Da
  • Monoisotopic mass410.184174 Da
  • ChemSpider ID21258174
  • defined stereocentres - 4 of 7 defined stereocentres


More details:






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

(1S,18S,20R,21R) 17-Oxyde de 4,5-diméthoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.01,18.02,7.08,22.011,21.015,20]tétracosa-2,4,6,14-tétraén-9-one [French] [ACD/IUPAC Name]
(1S,18S,20R,21R)-4,5-Dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.01,18.02,7.08,22.011,21.015,20]tetracosa-2,4,6,14-tetraen-9-on-17-oxid [German] [ACD/IUPAC Name]
(1S,18S,20R,21R)-4,5-Dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.01,18.02,7.08,22.011,21.015,20]tetracosa-2,4,6,14-tetraen-9-one 17-oxide [ACD/IUPAC Name]
1,14-Methano-3H,6H-indolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-one, 4a,5,12,13,14,14a,15,15a,15b,15c-decahydro-9,10-dimethoxy-, 14-oxide, (11bS,14aS,15aR,15bR)- [ACD/Index Name]

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

Density:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.17
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 38.75
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.73
ACD/KOC (pH 7.4): 51.55
Polar Surface Area: 65 Å2
Polarizability:
Surface Tension:
Molar Volume:

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