(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol

C8H16O5 — CID 130756919

IUPAC(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
SMILESCCCO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H16O5/c1-2-3-12-8-7(11)6(10)5(9)4-13-8/h5-11H,2-4H2,1H3/t5-,6-,7+,8+/m0/s1
InChIKeyYZNZTURKPAWLEE-RULNZFCNSA-N
MW192.21 g/mol
LogP-1.15
Rot. Bonds3

About (2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol

(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol (PubChem CID 130756919) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
PubChem CID130756919
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
SMILESCCCO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H16O5/c1-2-3-12-8-7(11)6(10)5(9)4-13-8/h5-11H,2-4H2,1H3/t5-,6-,7+,8+/m0/s1
InChIKeyYZNZTURKPAWLEE-RULNZFCNSA-N
XLogP-1.15
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol with MolForge

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Related Compounds

(2S,3R,4S,5R)-2-heptoxyoxane-3,4,5-triol
CID 70514431
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
2-ethoxyoxane-3,4,5-triol
CID 22495206
methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 159923464
(2R,3R,4S,5S)-2-(2-chloroethoxy)oxane-3,4,5-triol
CID 131000327
2-(2-aminoethoxy)oxolane-3,4-diol;ethanol
CID 142369559
(2R,3R,4S,5R)-2-(3,7,11-trimethylhexadecoxy)oxane-3,4,5-triol
CID 102453424
2-(2-aminoethoxy)oxolane-3,4-diol
CID 142369560
(2R,3R,4S,5S,6R)-2-ethoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 90479210
(2R,4R,5R)-2-(2-decyltetradecoxy)oxane-3,4,5-triol
CID 172641905
(2R,3R,4S,5R)-2-(2-dodecylhexadecoxy)oxane-3,4,5-triol
CID 171369914
(3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol
CID 54319451

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol (CID 130756919) is (2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol is CCCO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol?
The InChIKey is YZNZTURKPAWLEE-RULNZFCNSA-N. The full InChI is InChI=1S/C8H16O5/c1-2-3-12-8-7(11)6(10)5(9)4-13-8/h5-11H,2-4H2,1H3/t5-,6-,7+,8+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol?
(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol has a molecular weight of 192.21 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol is sourced from PubChem (CID 130756919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).