Viomycin

C₂₅H₄₃N₁₃O₁₀ — CID 3037981

About Viomycin

Viomycin (PubChem CID 3037981) has the molecular formula C₂₅H₄₃N₁₃O₁₀ and a molecular weight of 685.70 g/mol. Its IUPAC name is (3S)-3,6-diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4S,6R)-2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexanamide.

Molecular Properties

• Compound Name: Viomycin
• PubChem CID: 3037981
• Molecular Formula: C₂₅H₄₃N₁₃O₁₀
• Molecular Weight: 685.70 g/mol
• Exact Mass: 685.33
• IUPAC Name: (3S)-3,6-diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4S,6R)-2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexanamide
• SMILES: NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)N=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O
• InChI: InChI=1S/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/b13-7-/t10-,11+,12-,14-,15-,17-,18-/m0/s1
• InChIKey: GXFAIFRPOKBQRV-GHXCTMGLSA-N
• XLogP: -8.88
• TPSA: 392.86 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	685.70
LogP ≤ 5	-8.88
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Viomycin?

The IUPAC name of Viomycin (CID 3037981) is (3S)-3,6-diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4S,6R)-2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexanamide.

What is the SMILES notation for Viomycin?

The canonical SMILES for Viomycin is NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)N=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O.

What is the InChIKey of Viomycin?

The InChIKey is GXFAIFRPOKBQRV-GHXCTMGLSA-N. The full InChI is InChI=1S/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/b13-7-/t10-,11+,12-,14-,15-,17-,18-/m0/s1.

What are the key properties of Viomycin?

Viomycin has a molecular weight of 685.70 g/mol, XLogP of -8.88, 10 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for Viomycin is sourced from PubChem (CID 3037981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3037981 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2830 — approved-drug record (CC BY-SA 4.0)

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