Etimicin

C₂₁H₄₃N₅O₇ — CID 102594487

About Etimicin

Etimicin (PubChem CID 102594487) has the molecular formula C₂₁H₄₃N₅O₇ and a molecular weight of 477.60 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.

Molecular Properties

• Compound Name: Etimicin
• PubChem CID: 102594487
• Molecular Formula: C₂₁H₄₃N₅O₇
• Molecular Weight: 477.60 g/mol
• Exact Mass: 477.32
• IUPAC Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
• SMILES: CCN[C@@H]1C[C@H](N)[C@@H](OC2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O
• InChI: InChI=1S/C21H43N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h10-20,25-29H,4-9,22-24H2,1-3H3/t10-,11+,12-,13+,14-,15+,16+,17-,18+,19?,20+,21-/m0/s1
• InChIKey: NZGMVSJQULXLHF-NORJTPJDSA-N
• XLogP: -3.33
• TPSA: 199.73 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	477.60
LogP ≤ 5	-3.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of Etimicin?

The IUPAC name of Etimicin (CID 102594487) is (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.

What is the SMILES notation for Etimicin?

The canonical SMILES for Etimicin is CCN[C@@H]1C[C@H](N)[C@@H](OC2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.

What is the InChIKey of Etimicin?

The InChIKey is NZGMVSJQULXLHF-NORJTPJDSA-N. The full InChI is InChI=1S/C21H43N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h10-20,25-29H,4-9,22-24H2,1-3H3/t10-,11+,12-,13+,14-,15+,16+,17-,18+,19?,20+,21-/m0/s1.

What are the key properties of Etimicin?

Etimicin has a molecular weight of 477.60 g/mol, XLogP of -3.33, 8 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for Etimicin is sourced from PubChem (CID 102594487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102594487 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5171 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.