Found 8 results

Search term: MF = 'C_{38}H_{44}N_{2}O_{9}'

ChemSpider 2D Image | (3R,4S,4aS,9bS)-3-{(Adamantan-1-ylmethyl)[(7-methoxy-1-benzofuran-2-yl)carbonyl]amino}-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide | C38H44N2O9

(3R,4S,4aS,9bS)-3-{(Adamantan-1-ylmethyl)[(7-methoxy-1-benzofuran-2-yl)carbonyl]amino}-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide

  • Molecular FormulaC38H44N2O9
  • Average mass672.764 Da
  • Monoisotopic mass672.304688 Da
  • ChemSpider ID5153951
  • defined stereocentres - 4 of 8 defined stereocentres


More details:






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

(3R,4S,4aS,9bS)-3-{(Adamantan-1-ylmethyl)[(7-methoxy-1-benzofuran-2-yl)carbonyl]amino}-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamid [German] [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-3-{(Adamantan-1-ylmethyl)[(7-methoxy-1-benzofuran-2-yl)carbonyl]amino}-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide [ACD/IUPAC Name]
(3R,4S,4aS,9bS)-3-{(Adamantan-1-ylméthyl)[(7-méthoxy-1-benzofuran-2-yl)carbonyl]amino}-4-hydroxy-N-(2-hydroxyéthyl)-8-(hydroxyméthyl)-6-méthoxy-3,4,4a,9b-tétrahydrodibenzo[b,d]furane-1-carboxamide [French] [ACD/IUPAC Name]
1-Dibenzofurancarboxamide, 3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3-[[(7-methoxy-2-benzofuranyl)carbonyl](tricyclo[3.3.1.13,7]dec-1-ylmethyl)amino]-, (3R,4S,4a S,9bS)- [ACD/Index Name]
SAH1_005039

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 179.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.39
ACD/KOC (pH 5.5): 647.51
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.39
ACD/KOC (pH 7.4): 647.50
Polar Surface Area: 151 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 473.2±5.0 cm3

Click to predict properties on the Chemicalize site






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