octasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate

C26H28N6Na8O20 — CID 169006510

IUPACoctasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate
SMILESO=C([O-])CC(NC(=O)CN(CCN(CC(=O)NC(CC(=O)[O-])C(=O)[O-])CC(=O)NC(CC(=O)[O-])C(=O)[O-])CC(=O)NC(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C26H36N6O20.8Na/c33-15(27-11(23(45)46)3-19(37)38)7-31(8-16(34)28-12(24(47)48)4-20(39)40)1-2-32(9-17(35)29-13(25(49)50)5-21(41)42)10-18(36)30-14(26(51)52)6-22(43)44;;;;;;;;/h11-14H,1-10H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;;;;;/q;8*+1/p-8
InChIKeyZZDJGZGQDOLKTP-UHFFFAOYSA-F
MW928.45 g/mol
LogP-40.88
Rot. Bonds27

About octasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate

octasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate (PubChem CID 169006510) has the molecular formula C26H28N6Na8O20 and a molecular weight of 928.45 g/mol. Its IUPAC name is octasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate.

Molecular Properties

Compound Nameoctasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate
PubChem CID169006510
Molecular FormulaC26H28N6Na8O20
Molecular Weight928.45 g/mol
Exact Mass928.05
IUPAC Nameoctasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate
SMILESO=C([O-])CC(NC(=O)CN(CCN(CC(=O)NC(CC(=O)[O-])C(=O)[O-])CC(=O)NC(CC(=O)[O-])C(=O)[O-])CC(=O)NC(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C26H36N6O20.8Na/c33-15(27-11(23(45)46)3-19(37)38)7-31(8-16(34)28-12(24(47)48)4-20(39)40)1-2-32(9-17(35)29-13(25(49)50)5-21(41)42)10-18(36)30-14(26(51)52)6-22(43)44;;;;;;;;/h11-14H,1-10H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;;;;;/q;8*+1/p-8
InChIKeyZZDJGZGQDOLKTP-UHFFFAOYSA-F
XLogP-40.88
TPSA443.92 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.45
LogP ≤ 5-40.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze octasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-aminoacetyl)amino]butanedioate
CID 22257641
disodium;(2S)-2-[(2-phosphonoacetyl)amino]butanedioate
CID 14083904
(2S)-2-(carbamoylamino)butanedioate
CID 5460257
calcium 2-(carbamoylamino)butanedioate
CID 156759447
heptasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 23616700
calcium;sodium;2-[(2-carboxy-1-carboxylatoethyl)amino]butanedioate
CID 175697415
2-[2-[bis[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]ethyl-[2-[(2,7-dimethyl-3,6-dioxooctan-4-yl)amino]-2-oxoethyl]amino]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide
CID 135274511
bis(cobalt(2+));2-(1,2-dicarboxylatoethylamino)butanedioate
CID 175697407
dicalcium;2-(1,2-dicarboxylatoethylamino)butanedioate
CID 176895513
2-(1,2-dicarboxylatoethylamino)butanedioate;bis(manganese(2+))
CID 87472232
dipotassium;(2S)-2-(dodecanoylamino)butanedioate
CID 87121612
disodium;(2S)-2-[[(E)-4-oxopent-2-en-2-yl]amino]butanedioate
CID 88658660

Frequently Asked Questions

What is the IUPAC name of octasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate?
The IUPAC name of octasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate (CID 169006510) is octasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate.
What is the SMILES notation for octasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate?
The canonical SMILES for octasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate is O=C([O-])CC(NC(=O)CN(CCN(CC(=O)NC(CC(=O)[O-])C(=O)[O-])CC(=O)NC(CC(=O)[O-])C(=O)[O-])CC(=O)NC(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of octasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate?
The InChIKey is ZZDJGZGQDOLKTP-UHFFFAOYSA-F. The full InChI is InChI=1S/C26H36N6O20.8Na/c33-15(27-11(23(45)46)3-19(37)38)7-31(8-16(34)28-12(24(47)48)4-20(39)40)1-2-32(9-17(35)29-13(25(49)50)5-21(41)42)10-18(36)30-14(26(51)52)6-22(43)44;;;;;;;;/h11-14H,1-10H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;;;;;/q;8*+1/p-8.
What are the key properties of octasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate?
octasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate has a molecular weight of 928.45 g/mol, XLogP of -40.88, 27 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for octasodium;2-[[2-[2-[bis[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]ethyl-[2-(1,2-dicarboxylatoethylamino)-2-oxoethyl]amino]acetyl]amino]butanedioate is sourced from PubChem (CID 169006510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).