Found 1 result

Search term: 118896-98-3 (Found by synonym)
ChemSpider 2D Image | 6,9,12-Tris(carboxymethyl)-4,14-dioxo-2,16-bis(4-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}butyl)-3,6,9,12,15-pentaazaheptadecane-1,17-dioic acid | C46H75N11O16S2

6,9,12-Tris(carboxymethyl)-4,14-dioxo-2,16-bis(4-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}butyl)-3,6,9,12,15-pentaazaheptadecane-1,17-dioic acid

  • Molecular FormulaC46H75N11O16S2
  • Average mass1102.282 Da
  • Monoisotopic mass1101.483521 Da
  • ChemSpider ID2627609

More details:

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

6,9,12-Tris(carboxymethyl)-4,14-dioxo-2,16-bis(4-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}butyl)-3,6,9,12,15-pentaazaheptadecan-1,17-disäure [German] [ACD/IUPAC Name]
6,9,12-Tris(carboxymethyl)-4,14-dioxo-2,16-bis(4-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}butyl)-3,6,9,12,15-pentaazaheptadecane-1,17-dioic acid [ACD/IUPAC Name]
Acide 6,9,12-tris(carboxyméthyl)-4,14-dioxo-2,16-bis(4-{[5-(2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl)pentanoyl]amino}butyl)-3,6,9,12,15-pentaazaheptadécane-1,17-dioïque [French] [ACD/IUPAC Name]
118896-98-3 [RN]
2-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[2-[[1-carboxy-5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentyl]amino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoic acid
6,9,12-Tris(carboxymethyl)-4,14-dioxo-2,16-bis(4-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}butyl)-3,6,9,12,15-pentaazaheptadecane-1,17-dioic acid (non-preferred name)
Diethylenetriaminepentaacetic acid α,ω-bis(biocytinamide)

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

D1534_SIGMA [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1485.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 246.6±6.0 kJ/mol
Flash Point: 852.3±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 270.5±0.3 cm3
#H bond acceptors: 27
#H bond donors: 13
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: -0.04
ACD/LogD (pH 5.5): -6.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 445 Å2
Polarizability: 107.2±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 816.2±3.0 cm3

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