3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane

C15H29O7P — CID 170523973

IUPAC3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane
SMILESCOC1CC(C)OC1COP(C)(=O)OC[C@H]1O[C@@H](C)C[C@H]1OC
InChIInChI=1S/C15H29O7P/c1-10-6-12(17-3)14(21-10)8-19-23(5,16)20-9-15-13(18-4)7-11(2)22-15/h10-15H,6-9H2,1-5H3/t10-,11?,12+,13?,14+,15?,23?/m0/s1
InChIKeyLQRVHYZBEKNFSO-NTUYEEEOSA-N
MW352.36 g/mol
LogP2.23
Rot. Bonds8

About 3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane

3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane (PubChem CID 170523973) has the molecular formula C15H29O7P and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane.

Molecular Properties

Compound Name3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane
PubChem CID170523973
Molecular FormulaC15H29O7P
Molecular Weight352.36 g/mol
Exact Mass352.17
IUPAC Name3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane
SMILESCOC1CC(C)OC1COP(C)(=O)OC[C@H]1O[C@@H](C)C[C@H]1OC
InChIInChI=1S/C15H29O7P/c1-10-6-12(17-3)14(21-10)8-19-23(5,16)20-9-15-13(18-4)7-11(2)22-15/h10-15H,6-9H2,1-5H3/t10-,11?,12+,13?,14+,15?,23?/m0/s1
InChIKeyLQRVHYZBEKNFSO-NTUYEEEOSA-N
XLogP2.23
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 59137937
(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
(2R,3R,5S)-2-ethyl-3-methoxy-5-methyloxolane
CID 163422674
(2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate
CID 123943498
[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid
CID 21029752
CID 59991615
CID 59991615
[(2R,5S)-3-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoyloxy]-5-methyloxolan-2-yl]methanol
CID 58528135
CID 58593490
CID 58593490
(2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol
CID 165043855
[hydroxy(oxido)phosphoryl]oxy-[[(2R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxyphosphonoylmethyl]phosphinate;methane;yttrium
CID 163921692
(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate
CID 23594182
[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid
CID 161335598

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane?
The IUPAC name of 3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane (CID 170523973) is 3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane.
What is the SMILES notation for 3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane?
The canonical SMILES for 3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane is COC1CC(C)OC1COP(C)(=O)OC[C@H]1O[C@@H](C)C[C@H]1OC.
What is the InChIKey of 3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane?
The InChIKey is LQRVHYZBEKNFSO-NTUYEEEOSA-N. The full InChI is InChI=1S/C15H29O7P/c1-10-6-12(17-3)14(21-10)8-19-23(5,16)20-9-15-13(18-4)7-11(2)22-15/h10-15H,6-9H2,1-5H3/t10-,11?,12+,13?,14+,15?,23?/m0/s1.
What are the key properties of 3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane?
3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane has a molecular weight of 352.36 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane is sourced from PubChem (CID 170523973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).