dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate

C27H24N2O8 — CID 11785403

About dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate

dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate (PubChem CID 11785403) has the molecular formula C27H24N2O8 and a molecular weight of 504.50 g/mol. Its IUPAC name is dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate.

Molecular Properties

• Compound Name: dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate
• PubChem CID: 11785403
• Molecular Formula: C27H24N2O8
• Molecular Weight: 504.50 g/mol
• Exact Mass: 504.15
• IUPAC Name: dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate
• SMILES: COC(=O)c1c(C(=O)OC)c2c3ccccc3n([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c2c2[nH]c3ccccc3c12
• InChI: InChI=1S/C27H24N2O8/c1-35-26(33)19-17-12-7-3-5-9-14(12)28-21(17)22-18(20(19)27(34)36-2)13-8-4-6-10-15(13)29(22)25-24(32)23(31)16(30)11-37-25/h3-10,16,23-25,28,30-32H,11H2,1-2H3/t16-,23+,24-,25-/m1/s1
• InChIKey: BKZILRTVHVMQIL-HNELABEUSA-N
• XLogP: 2.61
• TPSA: 143.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.50
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate?

The IUPAC name of dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate (CID 11785403) is dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate.

What is the SMILES notation for dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate?

The canonical SMILES for dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate is COC(=O)c1c(C(=O)OC)c2c3ccccc3n([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c2c2[nH]c3ccccc3c12.

What is the InChIKey of dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate?

The InChIKey is BKZILRTVHVMQIL-HNELABEUSA-N. The full InChI is InChI=1S/C27H24N2O8/c1-35-26(33)19-17-12-7-3-5-9-14(12)28-21(17)22-18(20(19)27(34)36-2)13-8-4-6-10-15(13)29(22)25-24(32)23(31)16(30)11-37-25/h3-10,16,23-25,28,30-32H,11H2,1-2H3/t16-,23+,24-,25-/m1/s1.

What are the key properties of dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate?

dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate has a molecular weight of 504.50 g/mol, XLogP of 2.61, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate is sourced from PubChem (CID 11785403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).