Found 11 results

Search term: MF = 'C_{54}H_{59}N_{3}O_{10}'
ChemSpider 2D Image | 4-Nitrophenyl [(1R,2R,6S,6aS,11bS,11cS)-6a-(allyloxy)-10-(3,4-dimethylphenoxy)-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl](1-naphthylmethyl)carbamate | C54H59N3O10

4-Nitrophenyl [(1R,2R,6S,6aS,11bS,11cS)-6a-(allyloxy)-10-(3,4-dimethylphenoxy)-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl](1-naphthylmethyl)carbamate

  • Molecular FormulaC54H59N3O10
  • Average mass910.060 Da
  • Monoisotopic mass909.420044 Da
  • ChemSpider ID5067655

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(1R,2R,6S,6aS,11bS,11cS)-6a-(Allyloxy)-10-(3,4-diméthylphénoxy)-1,2-bis(4-hydroxybutyl)-4-(méthoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthén-6-yl](1-naphtylméthyl)carbamate de 4-nitrophény le [French] [ACD/IUPAC Name]
4-Nitrophenyl [(1R,2R,6S,6aS,11bS,11cS)-6a-(allyloxy)-10-(3,4-dimethylphenoxy)-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl](1-naphthylmethyl)carbamate [ACD/IUPAC Name]
4-Nitrophenyl-[(1R,2R,6S,6aS,11bS,11cS)-6a-(allyloxy)-10-(3,4-dimethylphenoxy)-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl](1-naphthylmethyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R,2R,6S,6aS,11bS,11cS)-10-(3,4-dimethylphenoxy)-1,2,4,5,6,6a,11b,11c-octahydro-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-6a-(2-propen-1-yloxy)benzo[kl]xanthen-6-yl]-N-(1-naphthaleny lmethyl)-, 4-nitrophenyl ester [ACD/Index Name]
CLL1_009249

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

Density: 1.3±0.1 g/cm3
Boiling Point: 963.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.0±3.0 kJ/mol
Flash Point: 536.5±37.1 °C
Index of Refraction: 1.623
Molar Refractivity: 253.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 12.06
ACD/LogD (pH 5.5): 11.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.37
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 165 Å2
Polarizability: 100.3±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 717.6±7.0 cm3

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