[hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium

C9H21O10P3Y-2 — CID 163921692

IUPAC[hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium
SMILESC.COC1C[C@H](C)O[C@@H]1CO[PH](=O)CP(=O)([O-])OP(=O)([O-])O.[Y]
InChIInChI=1S/C8H19O10P3.CH4.Y/c1-6-3-7(15-2)8(17-6)4-16-19(9)5-20(10,11)18-21(12,13)14;;/h6-8,19H,3-5H2,1-2H3,(H,10,11)(H2,12,13,14);1H4;/p-2/t6-,7?,8+;;/m0../s1
InChIKeyRAXUZYDYTSEFCE-NRNCSNIFSA-L
MW471.09 g/mol
LogP0.29
Rot. Bonds8

About [hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium

[hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium (PubChem CID 163921692) has the molecular formula C9H21O10P3Y-2 and a molecular weight of 471.09 g/mol. Its IUPAC name is [hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium.

Molecular Properties

Compound Name[hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium
PubChem CID163921692
Molecular FormulaC9H21O10P3Y-2
Molecular Weight471.09 g/mol
Exact Mass470.94
IUPAC Name[hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium
SMILESC.COC1C[C@H](C)O[C@@H]1CO[PH](=O)CP(=O)([O-])OP(=O)([O-])O.[Y]
InChIInChI=1S/C8H19O10P3.CH4.Y/c1-6-3-7(15-2)8(17-6)4-16-19(9)5-20(10,11)18-21(12,13)14;;/h6-8,19H,3-5H2,1-2H3,(H,10,11)(H2,12,13,14);1H4;/p-2/t6-,7?,8+;;/m0../s1
InChIKeyRAXUZYDYTSEFCE-NRNCSNIFSA-L
XLogP0.29
TPSA154.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.09
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium?
The IUPAC name of [hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium (CID 163921692) is [hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium.
What is the SMILES notation for [hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium?
The canonical SMILES for [hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium is C.COC1C[C@H](C)O[C@@H]1CO[PH](=O)CP(=O)([O-])OP(=O)([O-])O.[Y].
What is the InChIKey of [hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium?
The InChIKey is RAXUZYDYTSEFCE-NRNCSNIFSA-L. The full InChI is InChI=1S/C8H19O10P3.CH4.Y/c1-6-3-7(15-2)8(17-6)4-16-19(9)5-20(10,11)18-21(12,13)14;;/h6-8,19H,3-5H2,1-2H3,(H,10,11)(H2,12,13,14);1H4;/p-2/t6-,7?,8+;;/m0../s1.
What are the key properties of [hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium?
[hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium has a molecular weight of 471.09 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium is sourced from PubChem (CID 163921692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).