[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate

About [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate

[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate (PubChem CID 59991673) has the molecular formula C18H35NO7P- and a molecular weight of 408.45 g/mol. Its IUPAC name is [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate.

Molecular Properties

Compound Name	[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate
PubChem CID	59991673
Molecular Formula	C18H35NO7P-
Molecular Weight	408.45 g/mol
Exact Mass	408.22
IUPAC Name	[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate
SMILES	CC(C)OC[C@H]1O[C@@H](C)CC1OP(=O)([O-])NC[C@H]1O[C@@H](C)CC1OC(C)C
InChI	InChI=1S/C18H36NO7P/c1-11(2)22-10-18-16(8-14(6)25-18)26-27(20,21)19-9-17-15(23-12(3)4)7-13(5)24-17/h11-18H,7-10H2,1-6H3,(H2,19,20,21)/p-1/t13-,14-,15?,16?,17+,18+/m0/s1
InChIKey	WAQSPTURTHYNMD-YMRSTMCASA-M
XLogP	2.00
TPSA	98.31 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	10
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.45
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate?

The IUPAC name of [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate (CID 59991673) is [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate.

What is the SMILES notation for [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate?

The canonical SMILES for [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate is CC(C)OC[C@H]1O[C@@H](C)CC1OP(=O)([O-])NC[C@H]1O[C@@H](C)CC1OC(C)C.

What is the InChIKey of [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate?

The InChIKey is WAQSPTURTHYNMD-YMRSTMCASA-M. The full InChI is InChI=1S/C18H36NO7P/c1-11(2)22-10-18-16(8-14(6)25-18)26-27(20,21)19-9-17-15(23-12(3)4)7-13(5)24-17/h11-18H,7-10H2,1-6H3,(H2,19,20,21)/p-1/t13-,14-,15?,16?,17+,18+/m0/s1.

What are the key properties of [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate?

[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate has a molecular weight of 408.45 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate is sourced from PubChem (CID 59991673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).