Found 308 results

Search term: MF = 'C_{30}H_{44}N_{2}O_{3}'
ChemSpider 2D Image | (4aS,6aS,6bR,13aR,15bS)-2,2,6a,6b,9,9,13a-Heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadecahydropiceno[2,3-c][1,2,5]oxadiazole-4a(2H)-carboxylic acid | C30H44N2O3

(4aS,6aS,6bR,13aR,15bS)-2,2,6a,6b,9,9,13a-Heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadecahydropiceno[2,3-c][1,2,5]oxadiazole-4a(2H)-carboxylic acid

  • Molecular FormulaC30H44N2O3
  • Average mass480.682 Da
  • Monoisotopic mass480.335205 Da
  • ChemSpider ID23270997

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(4aS,6aS,6bR,13aR,15bS)-2,2,6a,6b,9,9,13a-Heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadecahydropiceno[2,3-c][1,2,5]oxadiazol-4a(2H)-carbonsäure [German] [ACD/IUPAC Name]
(4aS,6aS,6bR,13aR,15bS)-2,2,6a,6b,9,9,13a-Heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadecahydropiceno[2,3-c][1,2,5]oxadiazole-4a(2H)-carboxylic acid [ACD/IUPAC Name]
Acide (4aS,6aS,6bR,13aR,15bS)-2,2,6a,6b,9,9,13a-heptaméthyl-1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadécahydropicéno[2,3-c][1,2,5]oxadiazole-4a(2H)-carboxylique [French] [ACD/IUPAC Name]
Piceno[2,3-c][1,2,5]oxadiazole-4a(2H)-carboxylic acid, 1,3,4,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-hexadecahydro-2,2,6a,6b,9,9,13a-heptamethyl-, (4aS,6aS,6bR,13aR,15bS)- [ACD/Index Name]
(4aS,6aS,6bR,13aR,15bS)-2,2,6a,6b,9,9,13a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-octadecahydropiceno[2,3-c][1,2,5]oxadiazole-4a-carboxylic acid
CHEMBL381802
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL381802/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 571.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 299.6±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.16
ACD/LogD (pH 5.5): 7.93
ACD/BCF (pH 5.5): 377380.41
ACD/KOC (pH 5.5): 189102.25
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 5947.99
ACD/KOC (pH 7.4): 2980.49
Polar Surface Area: 76 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 411.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement