Found 1195 results

Search term: MF = 'C_{30}H_{43}N_{3}O_{4}'
ChemSpider 2D Image | (3'R,8'E,10a'R,14a'S)-3'-Benzyl-12'-(3,3-dimethylbutanoyl)-2,3,3',4',5,6,7',10',10a',11',12',13',14',14a'-tetradecahydro-1'H-spiro[pyran-4,6'-pyrido[4,3-e][1,4]diazacyclododecine]-2',5'-dione | C30H43N3O4

(3'R,8'E,10a'R,14a'S)-3'-Benzyl-12'-(3,3-dimethylbutanoyl)-2,3,3',4',5,6,7',10',10a',11',12',13',14',14a'-tetradecahydro-1'H-spiro[pyran-4,6'-pyrido[4,3-e][1,4]diazacyclododecine]-2',5'-dione

  • Molecular FormulaC30H43N3O4
  • Average mass509.680 Da
  • Monoisotopic mass509.325348 Da
  • ChemSpider ID80827730

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3'R,8'E,10a'R,14a'S)-3'-Benzyl-12'-(3,3-dimethylbutanoyl)-2,3,3',4',5,6,7',10',10a',11',12',13',14',14a'-tetradecahydro-1'H-spiro[pyran-4,6'-pyrido[4,3-e][1,4]diazacyclododecine]-2',5'-dione [ACD/IUPAC Name]
Spiro[4H-pyran-4,6'(1'H)-pyrido[4,3-e][1,4]diazacyclododecine]-2',5'-dione, 12'-(3,3-dimethyl-1-oxobutyl)-2,3,3',4',5,6,7',10',10'a,11',12',13',14',14'a-tetradecahydro-3'-(phenylmethyl)-, (3'R,8'E,10a 'R,14a'S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 764.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 415.9±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 236.70
ACD/KOC (pH 5.5): 1742.04
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.70
ACD/KOC (pH 7.4): 1742.05
Polar Surface Area: 88 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 438.4±5.0 cm3

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