(10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C24H15NO10 — CID 97487711

About (10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97487711) has the molecular formula C24H15NO10 and a molecular weight of 477.38 g/mol. Its IUPAC name is (10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 97487711
• Molecular Formula: C24H15NO10
• Molecular Weight: 477.38 g/mol
• Exact Mass: 477.07
• IUPAC Name: (10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1
• InChI: InChI=1S/C24H15NO10/c26-14-5-4-11(7-15(14)27)23-22(31)21(30)20-16(28)9-17-19(24(20)35-23)13(8-18(29)34-17)10-2-1-3-12(6-10)25(32)33/h1-7,9,13,26-28,31H,8H2/t13-/m0/s1
• InChIKey: MDZCNRROXNRJBC-ZDUSSCGKSA-N
• XLogP: 3.63
• TPSA: 180.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.38
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of (10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97487711) is (10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

What is the SMILES notation for (10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The canonical SMILES for (10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1.

What is the InChIKey of (10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The InChIKey is MDZCNRROXNRJBC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H15NO10/c26-14-5-4-11(7-15(14)27)23-22(31)21(30)20-16(28)9-17-19(24(20)35-23)13(8-18(29)34-17)10-2-1-3-12(6-10)25(32)33/h1-7,9,13,26-28,31H,8H2/t13-/m0/s1.

What are the key properties of (10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

(10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 477.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(3-nitrophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97487711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).