ChemSpider 2D Image | (-)-(43S)-crambidine | C45H79N6O6

(-)-(43S)-crambidine

  • Molecular FormulaC45H79N6O6
  • Average mass800.145 Da
  • Monoisotopic mass799.605591 Da
  • ChemSpider ID9896801

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(-)-(43S)-crambidine
(2aS,4S,7'S)-8-{[(16-{[(2S)-4-Amino-2-hydroxybutyl](3-aminopropyl)amino}-16-oxohexadecyl)oxy]carbonyl}-7'-ethyl-7-[(4R)-4-hydroxypentyl]-1,2,2a,4',5,7'-hexahydro-3H,3'H-spiro[5,6-diaza-8b-azoniaacenap hthylene-4,2'-oxepine] [ACD/IUPAC Name]
(2aS,4S,7'S)-8-{[(16-{[(2S)-4-Amino-2-hydroxybutyl](3-aminopropyl)amino}-16-oxohexadecyl)oxy]carbonyl}-7'-ethyl-7-[(4R)-4-hydroxypentyl]-1,2,2a,4',5,7'-hexahydro-3H,3'H-spiro[5,6-diaza-8b-azoniaacenap hthylene-4,2'-oxepine] [German] [ACD/IUPAC Name]
(2aS,4S,7'S)-8-{[(16-{[(2S)-4-Amino-2-hydroxybutyl](3-aminopropyl)amino}-16-oxohexadécyl)oxy]carbonyl}-7'-éthyl-7-[(4R)-4-hydroxypentyl]-1,2,2a,4',5,7'-hexahydro-3H,3'H-spiro[5,6-diaza-8b-azoniaacenap hthylene-4,2'-oxepine] [French] [ACD/IUPAC Name]
Spiro[5,6-diaza-8b-azoniaacenaphthylene-4(3H),2'(3'H)-oxepin], 8-[[[16-[[(2S)-4-amino-2-hydroxybutyl](3-aminopropyl)amino]-16-oxohexadecyl]oxy]carbonyl]-7'-ethyl-1,2,2a,4',5,7'-hexahydro-7-[(4R)-4-hyd roxypentyl]-, (2aS,4S,7'S)- [ACD/Index Name]

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: 34
#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: 177 Å2
Polarizability:
Surface Tension:
Molar Volume:

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