hexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid

C98H113F9N24O52 — CID 158862930

IUPAChexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)NCCCCCNC(=O)c1cncc([18F])n1)C(=O)O.O=C(O)C[C@H](NC(=O)NCCCC(=O)CC[C@H](NC(=O)CCCNC(=O)c1ccc([18F])nc1)C(=O)O)C(=O)O.O=C(O)C[C@H](NC(=O)NCCCC(=O)CC[C@H](NC(=O)c1c(F)c(F)c([18F])c(F)c1F)C(=O)O)C(=O)O.O=C(O)C[C@H](NC(=O)NCCNC(=O)CCC(=O)CNC(=O)c1ccc([18F])nn1)C(=O)O.O=C(O)C[C@H](NC(=O)NCCNC(=O)CCNC(=O)c1ccc([18F])nc1)C(=O)O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C23H30FN5O10.C20H20F5N3O9.C17H21FN6O8.C16H20FN5O7.C16H22FN5O6.6CO2/c24-17-8-5-13(12-27-17)20(34)25-9-2-4-18(31)28-15(21(35)36)7-6-14(30)3-1-10-26-23(39)29-16(22(37)38)11-19(32)33;21-12-11(13(22)15(24)16(25)14(12)23)17(32)27-8(18(33)34)4-3-7(29)2-1-5-26-20(37)28-9(19(35)36)6-10(30)31;18-12-3-2-10(23-24-12)15(29)21-8-9(25)1-4-13(26)19-5-6-20-17(32)22-11(16(30)31)7-14(27)28;17-11-2-1-9(8-21-11)14(26)19-4-3-12(23)18-5-6-20-16(29)22-10(15(27)28)7-13(24)25;17-12-9-18-8-11(21-12)14(25)19-6-2-1-3-7-20-16(28)22-10(15(26)27)4-5-13(23)24;6*2-1-3/h5,8,12,15-16H,1-4,6-7,9-11H2,(H,25,34)(H,28,31)(H,32,33)(H,35,36)(H,37,38)(H2,26,29,39);8-9H,1-6H2,(H,27,32)(H,30,31)(H,33,34)(H,35,36)(H2,26,28,37);2-3,11H,1,4-8H2,(H,19,26)(H,21,29)(H,27,28)(H,30,31)(H2,20,22,32);1-2,8,10H,3-7H2,(H,18,23)(H,19,26)(H,24,25)(H,27,28)(H2,20,22,29);8-10H,1-7H2,(H,19,25)(H,23,24)(H,26,27)(H2,20,22,28);;;;;;/t15-,16-;8-,9-;11-;2*10-;;;;;;/m00000....../s1/i24-1;25-1;18-1;2*17-1;;;;;;
InChIKeyJAWHVRUVTJDSAX-PVXPOOPVSA-N
MW2625.09 g/mol
LogP-6.07
Rot. Bonds68

About hexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid

hexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid (PubChem CID 158862930) has the molecular formula C98H113F9N24O52 and a molecular weight of 2625.09 g/mol. Its IUPAC name is hexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid.

Molecular Properties

Compound Namehexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid
PubChem CID158862930
Molecular FormulaC98H113F9N24O52
Molecular Weight2625.09 g/mol
Exact Mass2623.69
IUPAC Namehexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)NCCCCCNC(=O)c1cncc([18F])n1)C(=O)O.O=C(O)C[C@H](NC(=O)NCCCC(=O)CC[C@H](NC(=O)CCCNC(=O)c1ccc([18F])nc1)C(=O)O)C(=O)O.O=C(O)C[C@H](NC(=O)NCCCC(=O)CC[C@H](NC(=O)c1c(F)c(F)c([18F])c(F)c1F)C(=O)O)C(=O)O.O=C(O)C[C@H](NC(=O)NCCNC(=O)CCC(=O)CNC(=O)c1ccc([18F])nn1)C(=O)O.O=C(O)C[C@H](NC(=O)NCCNC(=O)CCNC(=O)c1ccc([18F])nc1)C(=O)O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C23H30FN5O10.C20H20F5N3O9.C17H21FN6O8.C16H20FN5O7.C16H22FN5O6.6CO2/c24-17-8-5-13(12-27-17)20(34)25-9-2-4-18(31)28-15(21(35)36)7-6-14(30)3-1-10-26-23(39)29-16(22(37)38)11-19(32)33;21-12-11(13(22)15(24)16(25)14(12)23)17(32)27-8(18(33)34)4-3-7(29)2-1-5-26-20(37)28-9(19(35)36)6-10(30)31;18-12-3-2-10(23-24-12)15(29)21-8-9(25)1-4-13(26)19-5-6-20-17(32)22-11(16(30)31)7-14(27)28;17-11-2-1-9(8-21-11)14(26)19-4-3-12(23)18-5-6-20-16(29)22-10(15(27)28)7-13(24)25;17-12-9-18-8-11(21-12)14(25)19-6-2-1-3-7-20-16(28)22-10(15(26)27)4-5-13(23)24;6*2-1-3/h5,8,12,15-16H,1-4,6-7,9-11H2,(H,25,34)(H,28,31)(H,32,33)(H,35,36)(H,37,38)(H2,26,29,39);8-9H,1-6H2,(H,27,32)(H,30,31)(H,33,34)(H,35,36)(H2,26,28,37);2-3,11H,1,4-8H2,(H,19,26)(H,21,29)(H,27,28)(H,30,31)(H2,20,22,32);1-2,8,10H,3-7H2,(H,18,23)(H,19,26)(H,24,25)(H,27,28)(H2,20,22,29);8-10H,1-7H2,(H,19,25)(H,23,24)(H,26,27)(H2,20,22,28);;;;;;/t15-,16-;8-,9-;11-;2*10-;;;;;;/m00000....../s1/i24-1;25-1;18-1;2*17-1;;;;;;
InChIKeyJAWHVRUVTJDSAX-PVXPOOPVSA-N
XLogP-6.07
TPSA1219.44 Ų
H-Bond Donors30
H-Bond Acceptors46
Rotatable Bonds68
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002625.09
LogP ≤ 5-6.07
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze hexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid?
The IUPAC name of hexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid (CID 158862930) is hexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid.
What is the SMILES notation for hexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid?
The canonical SMILES for hexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid is O=C(O)CC[C@H](NC(=O)NCCCCCNC(=O)c1cncc([18F])n1)C(=O)O.O=C(O)C[C@H](NC(=O)NCCCC(=O)CC[C@H](NC(=O)CCCNC(=O)c1ccc([18F])nc1)C(=O)O)C(=O)O.O=C(O)C[C@H](NC(=O)NCCCC(=O)CC[C@H](NC(=O)c1c(F)c(F)c([18F])c(F)c1F)C(=O)O)C(=O)O.O=C(O)C[C@H](NC(=O)NCCNC(=O)CCC(=O)CNC(=O)c1ccc([18F])nn1)C(=O)O.O=C(O)C[C@H](NC(=O)NCCNC(=O)CCNC(=O)c1ccc([18F])nc1)C(=O)O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of hexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid?
The InChIKey is JAWHVRUVTJDSAX-PVXPOOPVSA-N. The full InChI is InChI=1S/C23H30FN5O10.C20H20F5N3O9.C17H21FN6O8.C16H20FN5O7.C16H22FN5O6.6CO2/c24-17-8-5-13(12-27-17)20(34)25-9-2-4-18(31)28-15(21(35)36)7-6-14(30)3-1-10-26-23(39)29-16(22(37)38)11-19(32)33;21-12-11(13(22)15(24)16(25)14(12)23)17(32)27-8(18(33)34)4-3-7(29)2-1-5-26-20(37)28-9(19(35)36)6-10(30)31;18-12-3-2-10(23-24-12)15(29)21-8-9(25)1-4-13(26)19-5-6-20-17(32)22-11(16(30)31)7-14(27)28;17-11-2-1-9(8-21-11)14(26)19-4-3-12(23)18-5-6-20-16(29)22-10(15(27)28)7-13(24)25;17-12-9-18-8-11(21-12)14(25)19-6-2-1-3-7-20-16(28)22-10(15(26)27)4-5-13(23)24;6*2-1-3/h5,8,12,15-16H,1-4,6-7,9-11H2,(H,25,34)(H,28,31)(H,32,33)(H,35,36)(H,37,38)(H2,26,29,39);8-9H,1-6H2,(H,27,32)(H,30,31)(H,33,34)(H,35,36)(H2,26,28,37);2-3,11H,1,4-8H2,(H,19,26)(H,21,29)(H,27,28)(H,30,31)(H2,20,22,32);1-2,8,10H,3-7H2,(H,18,23)(H,19,26)(H,24,25)(H,27,28)(H2,20,22,29);8-10H,1-7H2,(H,19,25)(H,23,24)(H,26,27)(H2,20,22,28);;;;;;/t15-,16-;8-,9-;11-;2*10-;;;;;;/m00000....../s1/i24-1;25-1;18-1;2*17-1;;;;;;.
What are the key properties of hexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid?
hexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid has a molecular weight of 2625.09 g/mol, XLogP of -6.07, 68 rotatable bonds, 30 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(carbon dioxide);(2S)-2-[[(7S)-7-carboxy-7-[4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoylamino]-4-oxoheptyl]carbamoylamino]butanedioic acid;(2S)-2-[[(7S)-7-carboxy-4-oxo-7-[(2,3,5,6-tetrafluoro-4-(18F)fluorobenzoyl)amino]heptyl]carbamoylamino]butanedioic acid;(2S)-2-[5-[(6-(18F)fluoropyrazine-2-carbonyl)amino]pentylcarbamoylamino]pentanedioic acid;(2S)-2-[2-[[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]-4-oxopentanoyl]amino]ethylcarbamoylamino]butanedioic acid;(2S)-2-[2-[3-[(6-(18F)fluoropyridine-3-carbonyl)amino]propanoylamino]ethylcarbamoylamino]butanedioic acid is sourced from PubChem (CID 158862930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).