CID 131878181

C8H11NNa4O8 — CID 131878181

IUPAC—
SMILESO=C(O)C[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.[Na].[Na].[Na].[Na]
InChIInChI=1S/C8H11NO8.4Na/c10-5(11)1-4(8(16)17)9(2-6(12)13)3-7(14)15;;;;/h4H,1-3H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/t4-;;;;/m0..../s1
InChIKeyMPVJXBXDESDLBR-NDNWHDOQSA-N
MW341.14 g/mol
LogP-3.14
Rot. Bonds8

About CID 131878181

CID 131878181 (PubChem CID 131878181) has the molecular formula C8H11NNa4O8 and a molecular weight of 341.14 g/mol.

Molecular Properties

Compound NameCID 131878181
PubChem CID131878181
Molecular FormulaC8H11NNa4O8
Molecular Weight341.14 g/mol
Exact Mass341.01
IUPAC Name—
SMILESO=C(O)C[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.[Na].[Na].[Na].[Na]
InChIInChI=1S/C8H11NO8.4Na/c10-5(11)1-4(8(16)17)9(2-6(12)13)3-7(14)15;;;;/h4H,1-3H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/t4-;;;;/m0..../s1
InChIKeyMPVJXBXDESDLBR-NDNWHDOQSA-N
XLogP-3.14
TPSA152.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 5-3.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 131878181?
The IUPAC name of CID 131878181 (CID 131878181) is not available.
What is the SMILES notation for CID 131878181?
The canonical SMILES for CID 131878181 is O=C(O)C[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.[Na].[Na].[Na].[Na].
What is the InChIKey of CID 131878181?
The InChIKey is MPVJXBXDESDLBR-NDNWHDOQSA-N. The full InChI is InChI=1S/C8H11NO8.4Na/c10-5(11)1-4(8(16)17)9(2-6(12)13)3-7(14)15;;;;/h4H,1-3H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/t4-;;;;/m0..../s1.
What are the key properties of CID 131878181?
CID 131878181 has a molecular weight of 341.14 g/mol, XLogP of -3.14, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131878181 is sourced from PubChem (CID 131878181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).