amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium

C14H33N4O6P2+ — CID 139526869

About amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium

amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium (PubChem CID 139526869) has the molecular formula C14H33N4O6P2+ and a molecular weight of 415.39 g/mol. Its IUPAC name is amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium.

Molecular Properties

• Compound Name: amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium
• PubChem CID: 139526869
• Molecular Formula: C14H33N4O6P2+
• Molecular Weight: 415.39 g/mol
• Exact Mass: 415.19
• IUPAC Name: amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium
• SMILES: CC[C@H](C)O[C@@H](CN)COP(=O)(NC)N1C[C@@H](CO[P+](N)=O)O[C@@H](C)C1
• InChI: InChI=1S/C14H33N4O6P2/c1-5-11(2)23-13(6-15)10-22-26(20,17-4)18-7-12(3)24-14(8-18)9-21-25(16)19/h11-14H,5-10,15H2,1-4H3,(H2,16,19)(H,17,20)/q+1/t11-,12-,13-,14-,26?/m0/s1
• InChIKey: PUFSEPDXELCHLZ-XDIQYSSNSA-N
• XLogP: 1.19
• TPSA: 138.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.39
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium?

The IUPAC name of amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium (CID 139526869) is amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium.

What is the SMILES notation for amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium?

The canonical SMILES for amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium is CC[C@H](C)O[C@@H](CN)COP(=O)(NC)N1C[C@@H](CO[P+](N)=O)O[C@@H](C)C1.

What is the InChIKey of amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium?

The InChIKey is PUFSEPDXELCHLZ-XDIQYSSNSA-N. The full InChI is InChI=1S/C14H33N4O6P2/c1-5-11(2)23-13(6-15)10-22-26(20,17-4)18-7-12(3)24-14(8-18)9-21-25(16)19/h11-14H,5-10,15H2,1-4H3,(H2,16,19)(H,17,20)/q+1/t11-,12-,13-,14-,26?/m0/s1.

What are the key properties of amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium?

amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium has a molecular weight of 415.39 g/mol, XLogP of 1.19, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for amino-[[(2S,6S)-4-[[(2S)-3-amino-2-[(2S)-butan-2-yl]oxypropoxy]-(methylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium is sourced from PubChem (CID 139526869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).