Found 33 results

Search term: MF = 'C_{33}H_{39}NO_{10}'
ChemSpider 2D Image | 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-Hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 3-[(nitroo xy)methyl]benzoate | C33H39NO10

2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-Hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 3-[(nitroo xy)methyl]benzoate

  • Molecular FormulaC33H39NO10
  • Average mass609.664 Da
  • Monoisotopic mass609.257385 Da
  • ChemSpider ID7984792

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-Hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 3-[(nitroo xy)methyl]benzoate [ACD/IUPAC Name]
2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-Hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl-3-[(nitroo xy)methyl]benzoat [German] [ACD/IUPAC Name]
3-[(Nitrooxy)méthyl]benzoate de 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-4a,6a-diméthyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodécahydro-6bH-naphto[2',1':4,5]indéno[1,2-d][1,3]diox ol-6b-yl]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(nitrooxy)methyl]-, 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-6bH-naphth[2',1':4,5]indeno[1,2-d][1,3 ]dioxol-6b-yl]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 767.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 417.8±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8608.73
ACD/KOC (pH 5.5): 22814.93
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8608.73
ACD/KOC (pH 7.4): 22814.93
Polar Surface Area: 154 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 449.1±5.0 cm3

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