ChemSpider 2D Image | Protosappanin E2 hexamethyl ether | C38H38O11

Protosappanin E2 hexamethyl ether

  • Molecular FormulaC38H38O11
  • Average mass670.702 Da
  • Monoisotopic mass670.241394 Da
  • ChemSpider ID10283308

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(7R)-3,10,11-Trimethoxy-7-[(1S,10R,19R)-5,14,15-trimethoxy-8,18,20-trioxapentacyclo[8.7.3.01,10.02,7.012,17]icosa-2,4,6,12,14,16-hexaen-19-yl]-7,8-dihydro-6H-dibenzo[b,d]oxocin-7-ol [ACD/IUPAC Name]
(7R)-3,10,11-Trimethoxy-7-[(1S,10R,19R)-5,14,15-trimethoxy-8,18,20-trioxapentacyclo[8.7.3.01,10.02,7.012,17]icosa-2,4,6,12,14,16-hexaen-19-yl]-7,8-dihydro-6H-dibenzo[b,d]oxocin-7-ol [German] [ACD/IUPAC Name]
(7R)-3,10,11-Triméthoxy-7-[(1S,10R,19R)-5,14,15-triméthoxy-8,18,20-trioxapentacyclo[8.7.3.01,10.02,7.012,17]icosa-2,4,6,12,14,16-hexaén-19-yl]-7,8-dihydro-6H-dibenzo[b,d]oxocin-7-ol [French] [ACD/IUPAC Name]
6H-Dibenz[b,d]oxocin-7-ol, 7,8-dihydro-3,10,11-trimethoxy-7-[(6aR,11bS,13R)-3,9,10-trimethoxy-6H,7H-6a,11b-(epoxymethanooxy)benz[b]indeno[1,2-d]pyran-13-yl]-, (7R)- [ACD/Index Name]
Protosappanin E2 hexamethyl ether

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

Density: 1.4±0.1 g/cm3
Boiling Point: 829.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 455.2±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 176.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 7.65
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 54057.18
ACD/KOC (pH 5.5): 84988.17
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 54056.65
ACD/KOC (pH 7.4): 84987.33
Polar Surface Area: 113 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 473.9±5.0 cm3

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