Found 8 results

Search term: MF = 'C_{38}H_{63}N_{3}O_{6}'
ChemSpider 2D Image | 15-Methoxy-15-oxopentadecyl (2S,2a'R,4'R,6''R,7S,8a'S)-7-ethyl-6''-methyl-1',2',2a',3',3'',4,4'',5'',6'',7,8',8a'-dodecahydro-3H,5'H-dispiro[oxepine-2,7'-[5,6,8b]triazaacenaphthylene-4',2''-pyran]-3'- carboxylate | C38H63N3O6

15-Methoxy-15-oxopentadecyl (2S,2a'R,4'R,6''R,7S,8a'S)-7-ethyl-6''-methyl-1',2',2a',3',3'',4,4'',5'',6'',7,8',8a'-dodecahydro-3H,5'H-dispiro[oxepine-2,7'-[5,6,8b]triazaacenaphthylene-4',2''-pyran]-3'- carboxylate

  • Molecular FormulaC38H63N3O6
  • Average mass657.923 Da
  • Monoisotopic mass657.471680 Da
  • ChemSpider ID10477768

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

15-Methoxy-15-oxopentadecyl (2S,2a'R,4'R,6''R,7S,8a'S)-7-ethyl-6''-methyl-1',2',2a',3',3'',4,4'',5'',6'',7,8',8a'-dodecahydro-3H,5'H-dispiro[oxepine-2,7'-[5,6,8b]triazaacenaphthylene-4',2''-pyran]-3'- carboxylate [ACD/IUPAC Name]
Dispiro[oxepin-2(3H),7'-[4H-5,6,8b]triazaacenaphthylene-4'(6'H),2''-[2H]pyran]-3'-carboxylic acid, 7-ethyl-1',2',2'a,3',3'',4,4'',5'',6'',7,8',8'a-dodecahydro-6''-methyl-, 15-methoxy-15-oxopentadecyl ester, (2S,2a'R,4'R,6''R,7S,8a'S)- [ACD/Index Name]
neofolitispate 3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 711.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 383.9±35.7 °C
Index of Refraction: 1.580
Molar Refractivity: 182.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 8.43
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: 99 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 549.3±7.0 cm3

Click to predict properties on the Chemicalize site


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