Found 8 results

Search term: MF = 'C_{38}H_{63}N_{3}O_{6}'
ChemSpider 2D Image | 16-({[(2S,2a'S,6''R,7S,7'R,8'S,8a'R)-7-Ethyl-6''-methyl-1',2',2a',3'',4,4'',5'',6',6'',7,8',8a'-dodecahydro-3H,3'H,5'H-dispiro[oxepine-2,4'-[5,6]diaza[8b]azoniaacenaphthylene-7',2''-pyran]-8'-yl]carbo nyl}oxy)hexadecanoate | C38H63N3O6

16-({[(2S,2a'S,6''R,7S,7'R,8'S,8a'R)-7-Ethyl-6''-methyl-1',2',2a',3'',4,4'',5'',6',6'',7,8',8a'-dodecahydro-3H,3'H,5'H-dispiro[oxepine-2,4'-[5,6]diaza[8b]azoniaacenaphthylene-7',2''-pyran]-8'-yl]carbo nyl}oxy)hexadecanoate

  • Molecular FormulaC38H63N3O6
  • Average mass657.923 Da
  • Monoisotopic mass657.471680 Da
  • ChemSpider ID8434276

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

16-({[(2S,2a'S,6''R,7S,7'R,8'S,8a'R)-7-Ethyl-6''-methyl-1',2',2a',3'',4,4'',5'',6',6'',7,8',8a'-dodecahydro-3H,3'H,5'H-dispiro[oxepine-2,4'-[5,6]diaza[8b]azoniaacenaphthylene-7',2''-pyran]-8'-yl]carbo nyl}oxy)hexadecanoate [ACD/IUPAC Name]
Dispiro[oxepin-2(3H),4'(3'H)-[5,6]diaza[8b]azoniaacenaphthylene-7'(5'H),2''-[2H]pyran], 8'-[[(15-carboxypentadecyl)oxy]carbonyl]-7-ethyl-1',2',2'a,3'',4,4'',5'',6',6'',7,8',8'a-dodecahydro-6''-methyl- , inner salt, (2S,2a'S,6''R,7S,7'R,8'S,8a'R)- [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: 9
#H bond donors: 3
#Freely Rotating Bonds: 19
#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: 112 Å2
Polarizability:
Surface Tension:
Molar Volume:

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