ChemSpider 2D Image | N-[3-(4-Methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-D-tryptophan | C30H28N2O6

N-[3-(4-Methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-D-tryptophan

  • Molecular FormulaC30H28N2O6
  • Average mass512.553 Da
  • Monoisotopic mass512.194763 Da
  • ChemSpider ID21834810

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Tryptophan, N-[1-oxo-3-(6,7,8,9-tetrahydro-4-methyl-2-oxo-2H-benzofuro[3,2-g]-1-benzopyran-3-yl)propyl]- [ACD/Index Name]
N-[3-(4-Methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-D-tryptophan [ACD/IUPAC Name]
N-[3-(4-Methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-D-tryptophan [German] [ACD/IUPAC Name]
N-[3-(4-Méthyl-2-oxo-6,7,8,9-tétrahydro-2H-[1]benzofuro[3,2-g]chromén-3-yl)propanoyl]-D-tryptophane [French] [ACD/IUPAC Name]
(2R)-3-indol-3-yl-2-[3-(4-methyl-2-oxo(6,7,8,9-tetrahydrobenzo[1,2-d]chromeno[7,6-b]furan-3-yl))propanoylamino]propanoic acid
(R)-3-(1H-indol-3-yl)-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)propanoic acid
1446027-04-8 [RN]
3-(1H-Indol-3-yl)-2-[3-(6-methyl-8-oxo-1,2,3,4-tetrahydro-8H-9,11-dioxa-benzo[b]fluoren-7-yl)-propionylamino]-propionic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 850.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.5±3.0 kJ/mol
Flash Point: 468.2±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 141.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 21.41
ACD/KOC (pH 5.5): 71.57
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.14
Polar Surface Area: 122 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 374.5±3.0 cm3

Click to predict properties on the Chemicalize site


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