Found 384 results

Search term: MF = 'C_{27}H_{42}N_{2}O_{5}'
ChemSpider 2D Image | (2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-7-[(3-methoxypropanoyl)amino]-4a,8-dimethyldecahydro-2-naphthalenyl}-N-(4-methoxybenzyl)propanamide | C27H42N2O5

(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-7-[(3-methoxypropanoyl)amino]-4a,8-dimethyldecahydro-2-naphthalenyl}-N-(4-methoxybenzyl)propanamide

  • Molecular FormulaC27H42N2O5
  • Average mass474.633 Da
  • Monoisotopic mass474.309387 Da
  • ChemSpider ID22806054

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-7-[(3-méthoxypropanoyl)amino]-4a,8-diméthyldécahydro-2-naphtalényl}-N-(4-méthoxybenzyl)propanamide [French] [ACD/IUPAC Name]
(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-7-[(3-methoxypropanoyl)amino]-4a,8-dimethyldecahydro-2-naphthalenyl}-N-(4-methoxybenzyl)propanamide [ACD/IUPAC Name]
(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-7-[(3-methoxypropanoyl)amino]-4a,8-dimethyldecahydro-2-naphthalinyl}-N-(4-methoxybenzyl)propanamid [German] [ACD/IUPAC Name]
2-Naphthaleneacetamide, decahydro-1-hydroxy-7-[(3-methoxy-1-oxopropyl)amino]-N-[(4-methoxyphenyl)methyl]-α,4a,8-trimethyl-, (αS,1S,7S,8S,8aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 698.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 376.1±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.04
ACD/KOC (pH 5.5): 885.96
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.04
ACD/KOC (pH 7.4): 885.96
Polar Surface Area: 97 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 416.7±5.0 cm3

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