disodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate

C24H8Na2O6 — CID 132609901

IUPACdisodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate
SMILESO=c1oc([O-])c2ccc3c4ccc5c(=O)oc([O-])c6ccc(c7ccc1c2c37)c4c65.[Na+].[Na+]
InChIInChI=1S/C24H10O6.2Na/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11;;/h1-8,25,28H;;/q;2*+1/p-2
InChIKeyHETIRUHDBFQEBR-UHFFFAOYSA-L
MW438.30 g/mol
LogP-2.46
Rot. Bonds

About disodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate

disodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate (PubChem CID 132609901) has the molecular formula C24H8Na2O6 and a molecular weight of 438.30 g/mol. Its IUPAC name is disodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate.

Molecular Properties

Compound Namedisodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate
PubChem CID132609901
Molecular FormulaC24H8Na2O6
Molecular Weight438.30 g/mol
Exact Mass438.01
IUPAC Namedisodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate
SMILESO=c1oc([O-])c2ccc3c4ccc5c(=O)oc([O-])c6ccc(c7ccc1c2c37)c4c65.[Na+].[Na+]
InChIInChI=1S/C24H10O6.2Na/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11;;/h1-8,25,28H;;/q;2*+1/p-2
InChIKeyHETIRUHDBFQEBR-UHFFFAOYSA-L
XLogP-2.46
TPSA106.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.30
LogP ≤ 5-2.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze disodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate with MolForge

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Related Compounds

4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione
CID 143335534
13-oxa-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-6,12,14-trione
CID 71359007
4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone
CID 56622055
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
6-oxobenzo[c]chromene-10-carboxylate
CID 7345130
naphtho[1,2-c]chromen-5-one
CID 102526290
15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one
CID 118248383
10-sulfanyl-12-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-13-one
CID 146555289
8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione;5-(13,15-dioxo-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-14-yl)benzene-1,3-dicarboxylic acid
CID 157483526
[2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone;6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione
CID 158669225
4,9-dioxapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),13,15,17,19-heptaene-3,5,8,10-tetrone
CID 90856878
4,5,6-trimethyl-1-oxoisochromene-3-carboxylic acid
CID 21423673

Frequently Asked Questions

What is the IUPAC name of disodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate?
The IUPAC name of disodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate (CID 132609901) is disodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate.
What is the SMILES notation for disodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate?
The canonical SMILES for disodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate is O=c1oc([O-])c2ccc3c4ccc5c(=O)oc([O-])c6ccc(c7ccc1c2c37)c4c65.[Na+].[Na+].
What is the InChIKey of disodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate?
The InChIKey is HETIRUHDBFQEBR-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H10O6.2Na/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11;;/h1-8,25,28H;;/q;2*+1/p-2.
What are the key properties of disodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate?
disodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate has a molecular weight of 438.30 g/mol, XLogP of -2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate is sourced from PubChem (CID 132609901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).