disodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate

C9H10Na2O4 — CID 67061189

IUPACdisodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
SMILESO=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C9H12O4.2Na/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;;/h4-7H,1-3H2,(H,10,11)(H,12,13);;/q;2*+1/p-2/t4-,5+,6-,7+;;
InChIKeyFXDGCBFGSXNGQD-FAESFXMKSA-L
MW228.15 g/mol
LogP-7.84
Rot. Bonds2

About disodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate

disodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate (PubChem CID 67061189) has the molecular formula C9H10Na2O4 and a molecular weight of 228.15 g/mol. Its IUPAC name is disodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate.

Molecular Properties

Compound Namedisodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
PubChem CID67061189
Molecular FormulaC9H10Na2O4
Molecular Weight228.15 g/mol
Exact Mass228.04
IUPAC Namedisodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
SMILESO=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C9H12O4.2Na/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;;/h4-7H,1-3H2,(H,10,11)(H,12,13);;/q;2*+1/p-2/t4-,5+,6-,7+;;
InChIKeyFXDGCBFGSXNGQD-FAESFXMKSA-L
XLogP-7.84
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 5-7.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of disodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate?
The IUPAC name of disodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate (CID 67061189) is disodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate.
What is the SMILES notation for disodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate?
The canonical SMILES for disodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate is O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate?
The InChIKey is FXDGCBFGSXNGQD-FAESFXMKSA-L. The full InChI is InChI=1S/C9H12O4.2Na/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;;/h4-7H,1-3H2,(H,10,11)(H,12,13);;/q;2*+1/p-2/t4-,5+,6-,7+;;.
What are the key properties of disodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate?
disodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate has a molecular weight of 228.15 g/mol, XLogP of -7.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(1S,2S,3R,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate is sourced from PubChem (CID 67061189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).