azane;[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate

C24H50NO12P — CID 164516946

About azane;[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate

azane;[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate (PubChem CID 164516946) has the molecular formula C24H50NO12P and a molecular weight of 580.66 g/mol. Its IUPAC name is azane;[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate.

Molecular Properties

• Compound Name: azane;[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate
• PubChem CID: 164516946
• Molecular Formula: C24H50NO12P
• Molecular Weight: 580.66 g/mol
• Exact Mass: 580.34
• IUPAC Name: azane;[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate
• SMILES: N.[2H]C([2H])(OC(=O)CCCCCCCCCCCCCC)[C@@]([2H])(O)C([2H])([2H])OP(=O)(O)OC1[C@H](O)C(O)C(O)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C24H47O12P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(26)34-15-17(25)16-35-37(32,33)36-24-22(30)20(28)19(27)21(29)23(24)31;/h17,19-25,27-31H,2-16H2,1H3,(H,32,33);1H3/t17-,19?,20-,21?,22-,23-,24?;/m1./s1/i15D2,16D2,17D
• InChIKey: ADBRMFJLNNHJNZ-MFIIJOTASA-N
• XLogP: 1.46
• TPSA: 238.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	580.66
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azane;[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate?

The IUPAC name of azane;[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate (CID 164516946) is azane;[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate.

What is the SMILES notation for azane;[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate?

The canonical SMILES for azane;[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate is N.[2H]C([2H])(OC(=O)CCCCCCCCCCCCCC)[C@@]([2H])(O)C([2H])([2H])OP(=O)(O)OC1[C@H](O)C(O)C(O)[C@@H](O)[C@H]1O.

What is the InChIKey of azane;[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate?

The InChIKey is ADBRMFJLNNHJNZ-MFIIJOTASA-N. The full InChI is InChI=1S/C24H47O12P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(26)34-15-17(25)16-35-37(32,33)36-24-22(30)20(28)19(27)21(29)23(24)31;/h17,19-25,27-31H,2-16H2,1H3,(H,32,33);1H3/t17-,19?,20-,21?,22-,23-,24?;/m1./s1/i15D2,16D2,17D;.

What are the key properties of azane;[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate?

azane;[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate has a molecular weight of 580.66 g/mol, XLogP of 1.46, 20 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for azane;[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate is sourced from PubChem (CID 164516946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).