[(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol

C13H25O7P — CID 58528135

IUPAC[(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol
SMILESCOC1C[C@H](C)O[C@@H]1CO[P@H](=O)OC1C[C@H](C)O[C@@H]1CO
InChIInChI=1S/C13H25O7P/c1-8-4-10(16-3)13(19-8)7-17-21(15)20-11-5-9(2)18-12(11)6-14/h8-14,21H,4-7H2,1-3H3/t8-,9-,10?,11?,12+,13+/m0/s1
InChIKeyWNOBUBLCZPRGOX-LQRDFXSDSA-N
MW324.31 g/mol
LogP1.14
Rot. Bonds7

About [(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol

[(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol (PubChem CID 58528135) has the molecular formula C13H25O7P and a molecular weight of 324.31 g/mol. Its IUPAC name is [(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol
PubChem CID58528135
Molecular FormulaC13H25O7P
Molecular Weight324.31 g/mol
Exact Mass324.13
IUPAC Name[(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol
SMILESCOC1C[C@H](C)O[C@@H]1CO[P@H](=O)OC1C[C@H](C)O[C@@H]1CO
InChIInChI=1S/C13H25O7P/c1-8-4-10(16-3)13(19-8)7-17-21(15)20-11-5-9(2)18-12(11)6-14/h8-14,21H,4-7H2,1-3H3/t8-,9-,10?,11?,12+,13+/m0/s1
InChIKeyWNOBUBLCZPRGOX-LQRDFXSDSA-N
XLogP1.14
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium
CID 163921692
3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane
CID 170523973
(2R,3R,5S)-2-ethyl-3-methoxy-5-methyloxolane
CID 163422674
(3-ethoxy-5-methyloxolan-2-yl)methanol
CID 59687260
[[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 59137937
6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol
CID 146226308
[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol
CID 131019515
CID 161264357
CID 161264357
[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid
CID 21029752
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
(2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate
CID 58831606

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol?
The IUPAC name of [(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol (CID 58528135) is [(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol is COC1C[C@H](C)O[C@@H]1CO[P@H](=O)OC1C[C@H](C)O[C@@H]1CO.
What is the InChIKey of [(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol?
The InChIKey is WNOBUBLCZPRGOX-LQRDFXSDSA-N. The full InChI is InChI=1S/C13H25O7P/c1-8-4-10(16-3)13(19-8)7-17-21(15)20-11-5-9(2)18-12(11)6-14/h8-14,21H,4-7H2,1-3H3/t8-,9-,10?,11?,12+,13+/m0/s1.
What are the key properties of [(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol?
[(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol has a molecular weight of 324.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol is sourced from PubChem (CID 58528135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).