ChemSpider 2D Image | Ethyl 6,8,8-trimethyl-2-oxo-9-{4-oxo-4-[(5-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}pentyl)amino]butyl}-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinoline-3-carboxylate | C37H53N5O7S

Ethyl 6,8,8-trimethyl-2-oxo-9-{4-oxo-4-[(5-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}pentyl)amino]butyl}-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinoline-3-carboxylate

  • Molecular FormulaC37H53N5O7S
  • Average mass711.911 Da
  • Monoisotopic mass711.366577 Da
  • ChemSpider ID17339768

More details:

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

2H-Pyrano[3,2-g]quinoline-3-carboxylic acid, 9-[4-[[5-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]pentyl]amino]-4-oxobutyl]-6,7,8,9-tetrahydro-6,8,8-trimethyl-2-oxo-, ethyl e ster [ACD/Index Name]
6,8,8-Triméthyl-2-oxo-9-{4-oxo-4-[(5-{[5-(2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl)pentanoyl]amino}pentyl)amino]butyl}-6,7,8,9-tétrahydro-2H-pyrano[3,2-g]quinoléine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6,8,8-trimethyl-2-oxo-9-{4-oxo-4-[(5-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}pentyl)amino]butyl}-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinoline-3-carboxylate [ACD/IUPAC Name]
Ethyl-6,8,8-trimethyl-2-oxo-9-{4-oxo-4-[(5-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}pentyl)amino]butyl}-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]chinolin-3-carboxylat [German] [ACD/IUPAC Name]
2H-pyrano[3,2-g]quinoline-3-carboxylic acid, 9-[4-[[5-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]pentyl]amino]-4-oxobutyl]-6,7,8,9-tetrahydro-6,8,8-trimethyl-2-oxo-, ethyl ester
ATTO 425-7
Atto 425-Biotin
Biotin-Atto 425

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

28616_FLUKA [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 987.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.2±3.0 kJ/mol
Flash Point: 551.1±34.3 °C
Index of Refraction: 1.551
Molar Refractivity: 191.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2780.50
ACD/KOC (pH 5.5): 9489.18
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3516.20
ACD/KOC (pH 7.4): 11999.93
Polar Surface Area: 180 Å2
Polarizability: 75.9±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 600.0±3.0 cm3

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