ChemSpider 2D Image | monanchoxymycalin C | C45H81N6O6

monanchoxymycalin C

  • Molecular FormulaC45H81N6O6
  • Average mass802.161 Da
  • Monoisotopic mass801.621216 Da
  • ChemSpider ID75590286

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2R,2a'R,5S,6''S,7'S,8'R,8a'S)-8'-[({16-[(4-Amino-2-hydroxybutyl)(3-aminopropyl)amino]-16-oxohexadecyl}oxy)carbonyl]-5-[(1E)-1-buten-1-yl]-6''-methyl-1',2',2a',3'',4,4'',5,5'',6',6'',8',8a'-dodecahydr o-3H,3'H,5'H-dispiro[furan-2,4'-[5,6]diaza[8b]azoniaacenaphthylene-7',2''-pyran] [ACD/IUPAC Name]
Dispiro[furan-2(3H),4'(3'H)-[5,6]diaza[8b]azoniaacenaphthylene-7'(5'H),2''-[2H]pyran], 8'-[[[16-[(4-amino-2-hydroxybutyl)(3-aminopropyl)amino]-16-oxohexadecyl]oxy]carbonyl]-5-[(1E)-1-buten-1-yl]-1',2' ,2'a,3'',4,4'',5,5'',6',6'',8',8'a-dodecahydro-6''-methyl-, (2R,2a'R,5S,6''S,7'S,8'R,8a'S)- [ACD/Index Name]
monanchoxymycalin C

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: 12
#H bond donors: 7
#Freely Rotating Bonds: 27
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 164 Å2
Polarizability:
Surface Tension:
Molar Volume:

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