CID 6367300

C20H18N2NaO5 — CID 6367300

IUPAC—
SMILESCC[C@@](O)(C(=O)O)c1cc2n(c(=O)c1CO)Cc1cc3ccccc3nc1-2.[Na]
InChIInChI=1S/C20H18N2O5.Na/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17;/h3-8,23,27H,2,9-10H2,1H3,(H,25,26);/t20-;/m0./s1
InChIKeyPBJLMBQVBUDNJL-BDQAORGHSA-N
MW389.36 g/mol
LogP1.22
Rot. Bonds4

About CID 6367300

CID 6367300 (PubChem CID 6367300) has the molecular formula C20H18N2NaO5 and a molecular weight of 389.36 g/mol.

Molecular Properties

Compound NameCID 6367300
PubChem CID6367300
Molecular FormulaC20H18N2NaO5
Molecular Weight389.36 g/mol
Exact Mass389.11
IUPAC Name—
SMILESCC[C@@](O)(C(=O)O)c1cc2n(c(=O)c1CO)Cc1cc3ccccc3nc1-2.[Na]
InChIInChI=1S/C20H18N2O5.Na/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17;/h3-8,23,27H,2,9-10H2,1H3,(H,25,26);/t20-;/m0./s1
InChIKeyPBJLMBQVBUDNJL-BDQAORGHSA-N
XLogP1.22
TPSA112.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 6367300?
The IUPAC name of CID 6367300 (CID 6367300) is not available.
What is the SMILES notation for CID 6367300?
The canonical SMILES for CID 6367300 is CC[C@@](O)(C(=O)O)c1cc2n(c(=O)c1CO)Cc1cc3ccccc3nc1-2.[Na].
What is the InChIKey of CID 6367300?
The InChIKey is PBJLMBQVBUDNJL-BDQAORGHSA-N. The full InChI is InChI=1S/C20H18N2O5.Na/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17;/h3-8,23,27H,2,9-10H2,1H3,(H,25,26);/t20-;/m0./s1.
What are the key properties of CID 6367300?
CID 6367300 has a molecular weight of 389.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6367300 is sourced from PubChem (CID 6367300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).