ChemSpider 2D Image | (3S,3'S,5R,6R,14aR,14bR)-6-Hydroxy-3',5,6-trimethyl-5,6,9,11,13,14,14a,14b-octahydrospiro[1,6-dioxacyclododecino[2,3,4-gh]pyrrolizine-3,2'-oxirane]-2,7(4H)-dione 12-oxide | C18H25NO7

(3S,3'S,5R,6R,14aR,14bR)-6-Hydroxy-3',5,6-trimethyl-5,6,9,11,13,14,14a,14b-octahydrospiro[1,6-dioxacyclododecino[2,3,4-gh]pyrrolizine-3,2'-oxirane]-2,7(4H)-dione 12-oxide

  • Molecular FormulaC18H25NO7
  • Average mass367.394 Da
  • Monoisotopic mass367.163116 Da
  • ChemSpider ID76962848

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3S,3'S,5R,6R,14aR,14bR)-6-Hydroxy-3',5,6-trimethyl-5,6,9,11,13,14,14a,14b-octahydrospiro[1,6-dioxacyclododecino[2,3,4-gh]pyrrolizine-3,2'-oxirane]-2,7(4H)-dione 12-oxide [ACD/IUPAC Name]
Spiro[1,6-dioxacyclododecino[2,3,4-gh]pyrrolizine-3(2H),2'-oxirane]-2,7(4H)-dione, 5,6,9,11,13,14,14a,14b-octahydro-6-hydroxy-3',5,6-trimethyl-, 12-oxide, (3S,3'S,5R,6R,14aR,14bR)- [ACD/Index Name]
jacobine N-oxide

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.27
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.31
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.03
Polar Surface Area: 102 Å2
Polarizability:
Surface Tension:
Molar Volume:

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