[(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium

C14H28O5P+ — CID 158800100

IUPAC[(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium
SMILESCCO[C@H]1[C@@H](C)[C@H](C)O[C@@H]1CO[P+](=O)OC(CC)CC
InChIInChI=1S/C14H28O5P/c1-6-12(7-2)19-20(15)17-9-13-14(16-8-3)10(4)11(5)18-13/h10-14H,6-9H2,1-5H3/q+1/t10-,11-,13+,14-/m0/s1
InChIKeyNYWDUFICYGSMFS-VTPLQMEGSA-N
MW307.35 g/mol
LogP3.69
Rot. Bonds9

About [(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium

[(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium (PubChem CID 158800100) has the molecular formula C14H28O5P+ and a molecular weight of 307.35 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium.

Molecular Properties

Compound Name[(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium
PubChem CID158800100
Molecular FormulaC14H28O5P+
Molecular Weight307.35 g/mol
Exact Mass307.17
IUPAC Name[(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium
SMILESCCO[C@H]1[C@@H](C)[C@H](C)O[C@@H]1CO[P+](=O)OC(CC)CC
InChIInChI=1S/C14H28O5P/c1-6-12(7-2)19-20(15)17-9-13-14(16-8-3)10(4)11(5)18-13/h10-14H,6-9H2,1-5H3/q+1/t10-,11-,13+,14-/m0/s1
InChIKeyNYWDUFICYGSMFS-VTPLQMEGSA-N
XLogP3.69
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane
CID 162134537
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411
(3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane
CID 58651620
(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
CID 71166951
(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane
CID 163737733
[(3S,4R,6S)-3,4-diacetyloxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 71155336
(2S,3S,4S,5S,6S)-3-ethoxy-4,5-dimethoxy-2,6-dimethyloxane
CID 58620285
(3-acetyloxy-4,5,6-trimethyloxan-2-yl)methyl acetate
CID 70208070
4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol
CID 58675427
2-ethyl-3-methoxy-4,5,6-trimethyloxane
CID 20632118
(3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane
CID 159477864
(2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium
CID 163686868

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium?
The IUPAC name of [(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium (CID 158800100) is [(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium.
What is the SMILES notation for [(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium?
The canonical SMILES for [(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium is CCO[C@H]1[C@@H](C)[C@H](C)O[C@@H]1CO[P+](=O)OC(CC)CC.
What is the InChIKey of [(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium?
The InChIKey is NYWDUFICYGSMFS-VTPLQMEGSA-N. The full InChI is InChI=1S/C14H28O5P/c1-6-12(7-2)19-20(15)17-9-13-14(16-8-3)10(4)11(5)18-13/h10-14H,6-9H2,1-5H3/q+1/t10-,11-,13+,14-/m0/s1.
What are the key properties of [(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium?
[(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium has a molecular weight of 307.35 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S)-3-ethoxy-4,5-dimethyloxolan-2-yl]methoxy-oxo-pentan-3-yloxyphosphanium is sourced from PubChem (CID 158800100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).