(2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol

C14H29NO7 — CID 129015327

IUPAC(2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol
SMILESNCCOCCOCCOCCOC[C@H]1OCC[C@@H](O)[C@H]1O
InChIInChI=1S/C14H29NO7/c15-2-4-18-5-6-19-7-8-20-9-10-21-11-13-14(17)12(16)1-3-22-13/h12-14,16-17H,1-11,15H2/t12-,13-,14-/m1/s1
InChIKeyYGXBMKYDKNJXJL-MGPQQGTHSA-N
MW323.39 g/mol
LogP-1.48
Rot. Bonds13

About (2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol

(2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol (PubChem CID 129015327) has the molecular formula C14H29NO7 and a molecular weight of 323.39 g/mol. Its IUPAC name is (2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol
PubChem CID129015327
Molecular FormulaC14H29NO7
Molecular Weight323.39 g/mol
Exact Mass323.19
IUPAC Name(2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol
SMILESNCCOCCOCCOCCOC[C@H]1OCC[C@@H](O)[C@H]1O
InChIInChI=1S/C14H29NO7/c15-2-4-18-5-6-19-7-8-20-9-10-21-11-13-14(17)12(16)1-3-22-13/h12-14,16-17H,1-11,15H2/t12-,13-,14-/m1/s1
InChIKeyYGXBMKYDKNJXJL-MGPQQGTHSA-N
XLogP-1.48
TPSA112.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine;ethane;2-(hydroxymethyl)oxane-3,4-diol
CID 177356981
[(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 71089787
4-amino-N-[2-[[1-[2-[2-[2-[2-[(3,4-dihydroxyoxan-2-yl)methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]butanamide
CID 144963347
(2R,3R,4R)-2-[2-[2-[2-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol
CID 170424652
2-(phenoxymethyl)oxane-3,4-diol
CID 171557855
2-(hydroxymethyl)oxane-3,4-diol;methanol
CID 144507531
2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol
CID 176704836
(2R,3S,4R,6S)-6-[[(2R,3S,4R,6S)-6-[[(2R,3S,4R)-3,4-dihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 174151873
2-(trityloxymethyl)oxane-3,4-diol
CID 85275479
benzyl 12-[2-[3-[3-[5-[(3,4-dihydroxyoxan-2-yl)methoxy]pentanoylamino]propylamino]-3-oxopropoxy]ethylamino]-12-oxododecanoate
CID 142489206
(3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol
CID 126606531
(3S)-2-[(2-hydroxyethylamino)methyl]oxane-3,4-diol
CID 126606523

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol (CID 129015327) is (2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol is NCCOCCOCCOCCOC[C@H]1OCC[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol?
The InChIKey is YGXBMKYDKNJXJL-MGPQQGTHSA-N. The full InChI is InChI=1S/C14H29NO7/c15-2-4-18-5-6-19-7-8-20-9-10-21-11-13-14(17)12(16)1-3-22-13/h12-14,16-17H,1-11,15H2/t12-,13-,14-/m1/s1.
What are the key properties of (2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol?
(2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol has a molecular weight of 323.39 g/mol, XLogP of -1.48, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]oxane-3,4-diol is sourced from PubChem (CID 129015327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).