ChemSpider 2D Image | OTL-38 | C61H67N9O17S4

OTL-38

  • Molecular FormulaC61H67N9O17S4
  • Average mass1326.495 Da
  • Monoisotopic mass1325.353760 Da
  • ChemSpider ID64880249

More details:

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

2-{(E)-2-[(3E)-2-(4-{2-[(4-{[(2-Amino-4-oxo-3,4-dihydro-6-pteridinyl)methyl]amino}benzoyl)amino]-2-carboxyethyl}phenoxy)-3-{(2E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-yliden] ethyliden}-1-cyclohexen-1-yl]vinyl}-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium-5-sulfonat [German] [ACD/IUPAC Name]
2-{(E)-2-[(3E)-2-(4-{2-[(4-{[(2-Amino-4-oxo-3,4-dihydro-6-pteridinyl)methyl]amino}benzoyl)amino]-2-carboxyethyl}phenoxy)-3-{(2E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-ylidene ]ethylidene}-1-cyclohexen-1-yl]vinyl}-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium-5-sulfonate [ACD/IUPAC Name]
2-{(E)-2-[(3E)-2-(4-{2-[(4-{[(2-Amino-4-oxo-3,4-dihydro-6-ptéridinyl)méthyl]amino}benzoyl)amino]-2-carboxyéthyl}phénoxy)-3-{(2E)-2-[3,3-diméthyl-5-sulfo-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-ylidène ]éthylidène}-1-cyclohexén-1-yl]vinyl}-3,3-diméthyl-1-(4-sulfobutyl)-3H-indolium-5-sulfonate [French] [ACD/IUPAC Name]
OTL-38
Tyrosine, N-[4-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-O-[(6E)-6-[(2E)-2-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-2-[(E)-2-[3,3-dimethy l-5-sulfo-1-(4-sulfobutyl)-3H-indolium-2-yl]ethenyl]-1-cyclohexen-1-yl]-, inner salt [ACD/Index Name]
1628423-76-6 [RN]

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

F7BD3Z4X8L [DBID]

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 26
#H bond donors: 10
#Freely Rotating Bonds: 25
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 441 Å2
Polarizability:
Surface Tension:
Molar Volume:

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