(2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol

C19H34O15 — CID 11443449

IUPAC(2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCO[C@@H]1O[C@@H]([C@H](CO[C@@H]2O[C@@H]([C@@H](O)CO)[C@H](O)[C@H]2O)O[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H34O15/c1-2-29-17-14(28)11(25)16(34-17)8(32-19-12(26)9(23)7(4-21)31-19)5-30-18-13(27)10(24)15(33-18)6(22)3-20/h6-28H,2-5H2,1H3/t6-,7+,8-,9+,10+,11+,12-,13+,14+,15-,16-,17+,18+,19+/m0/s1
InChIKeyODLNGKJZPFPRNA-FHBDPKGWSA-N
MW502.47 g/mol
LogP-5.89
Rot. Bonds11

About (2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 11443449) has the molecular formula C19H34O15 and a molecular weight of 502.47 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID11443449
Molecular FormulaC19H34O15
Molecular Weight502.47 g/mol
Exact Mass502.19
IUPAC Name(2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCO[C@@H]1O[C@@H]([C@H](CO[C@@H]2O[C@@H]([C@@H](O)CO)[C@H](O)[C@H]2O)O[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H34O15/c1-2-29-17-14(28)11(25)16(34-17)8(32-19-12(26)9(23)7(4-21)31-19)5-30-18-13(27)10(24)15(33-18)6(22)3-20/h6-28H,2-5H2,1H3/t6-,7+,8-,9+,10+,11+,12-,13+,14+,15-,16-,17+,18+,19+/m0/s1
InChIKeyODLNGKJZPFPRNA-FHBDPKGWSA-N
XLogP-5.89
TPSA237.45 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500502.47
LogP ≤ 5-5.89
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze (2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol (CID 11443449) is (2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol is CCO[C@@H]1O[C@@H]([C@H](CO[C@@H]2O[C@@H]([C@@H](O)CO)[C@H](O)[C@H]2O)O[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is ODLNGKJZPFPRNA-FHBDPKGWSA-N. The full InChI is InChI=1S/C19H34O15/c1-2-29-17-14(28)11(25)16(34-17)8(32-19-12(26)9(23)7(4-21)31-19)5-30-18-13(27)10(24)15(33-18)6(22)3-20/h6-28H,2-5H2,1H3/t6-,7+,8-,9+,10+,11+,12-,13+,14+,15-,16-,17+,18+,19+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 502.47 g/mol, XLogP of -5.89, 11 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-[(2R,3R,4R,5R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]ethoxy]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 11443449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).