(2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate

C14H27O7PS — CID 123943498

IUPAC(2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate
SMILESCCC1OC(S)CC1OP(=O)(OC)OCC1OC(C)CC1OC
InChIInChI=1S/C14H27O7PS/c1-5-10-12(7-14(23)20-10)21-22(15,17-4)18-8-13-11(16-3)6-9(2)19-13/h9-14,23H,5-8H2,1-4H3
InChIKeyPRLRIHRQNFFMPS-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.79
Rot. Bonds8

About (2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate

(2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate (PubChem CID 123943498) has the molecular formula C14H27O7PS and a molecular weight of 370.40 g/mol. Its IUPAC name is (2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate.

Molecular Properties

Compound Name(2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate
PubChem CID123943498
Molecular FormulaC14H27O7PS
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name(2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate
SMILESCCC1OC(S)CC1OP(=O)(OC)OCC1OC(C)CC1OC
InChIInChI=1S/C14H27O7PS/c1-5-10-12(7-14(23)20-10)21-22(15,17-4)18-8-13-11(16-3)6-9(2)19-13/h9-14,23H,5-8H2,1-4H3
InChIKeyPRLRIHRQNFFMPS-UHFFFAOYSA-N
XLogP2.79
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(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
3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane
CID 170523973
(2-ethyl-5-methyloxolan-3-yl) [3-[(3-hydroxy-5-methyloxolan-2-yl)methoxy-(2-isocyanoethoxy)phosphoryl]oxy-5-methyloxolan-2-yl]methyl 2-isocyanoethyl phosphate
CID 158467306
methyl [(2R,4R,5S)-5-methyl-2-(propan-2-yloxymethyl)-4-sulfanyloxolan-3-yl] [(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl phosphate
CID 59925338
[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid
CID 21029752
(2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane
CID 135224246
[[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 59137937
[(2R,3S,5S)-3-[[(2R,3S,5S)-3-[ethoxy(hydroxy)phosphoryl]oxy-5-methyloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-methyloxolan-2-yl]methoxy-propan-2-ylphosphinic acid
CID 157280642
[(2R,5S)-2-[[butoxy(hydroxy)phosphoryl]oxymethyl]-5-methyloxolan-3-yl] butyl hydrogen phosphate
CID 163761070
[(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
CID 174019264
CID 174019264

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate?
The IUPAC name of (2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate (CID 123943498) is (2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate.
What is the SMILES notation for (2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate?
The canonical SMILES for (2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate is CCC1OC(S)CC1OP(=O)(OC)OCC1OC(C)CC1OC.
What is the InChIKey of (2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate?
The InChIKey is PRLRIHRQNFFMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O7PS/c1-5-10-12(7-14(23)20-10)21-22(15,17-4)18-8-13-11(16-3)6-9(2)19-13/h9-14,23H,5-8H2,1-4H3.
What are the key properties of (2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate?
(2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate has a molecular weight of 370.40 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate is sourced from PubChem (CID 123943498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).