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

C7H14O5 — CID 163545288

IUPAC(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
SMILESCCO[C@@H]1OC[C@H](O)C(O)[C@@H]1O
InChIInChI=1S/C7H14O5/c1-2-11-7-6(10)5(9)4(8)3-12-7/h4-10H,2-3H2,1H3/t4-,5?,6-,7+/m0/s1
InChIKeyUBUITGRMYNAZAX-HNMQFRHFSA-N
MW178.18 g/mol
LogP-1.54
Rot. Bonds2

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

(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol (PubChem CID 163545288) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2R,3S,5S)-2-ethoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
PubChem CID163545288
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
SMILESCCO[C@@H]1OC[C@H](O)C(O)[C@@H]1O
InChIInChI=1S/C7H14O5/c1-2-11-7-6(10)5(9)4(8)3-12-7/h4-10H,2-3H2,1H3/t4-,5?,6-,7+/m0/s1
InChIKeyUBUITGRMYNAZAX-HNMQFRHFSA-N
XLogP-1.54
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxyoxane-3,4,5-triol
CID 22495206
(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,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
CID 130756919
(2S,3R,4S,5R)-2-heptoxyoxane-3,4,5-triol
CID 70514431
methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 159923464
(3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol
CID 54319451
(2R,3R,4S,5S)-2-(2-chloroethoxy)oxane-3,4,5-triol
CID 131000327
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 156619040
(2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol
CID 70508112
2-(2-aminoethoxy)oxolane-3,4-diol;ethanol
CID 142369559
[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl] acetate
CID 149251667

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-2-ethoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,5S)-2-ethoxyoxane-3,4,5-triol (CID 163545288) is (2R,3S,5S)-2-ethoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,5S)-2-ethoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,5S)-2-ethoxyoxane-3,4,5-triol is CCO[C@@H]1OC[C@H](O)C(O)[C@@H]1O.
What is the InChIKey of (2R,3S,5S)-2-ethoxyoxane-3,4,5-triol?
The InChIKey is UBUITGRMYNAZAX-HNMQFRHFSA-N. The full InChI is InChI=1S/C7H14O5/c1-2-11-7-6(10)5(9)4(8)3-12-7/h4-10H,2-3H2,1H3/t4-,5?,6-,7+/m0/s1.
What are the key properties of (2R,3S,5S)-2-ethoxyoxane-3,4,5-triol?
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol has a molecular weight of 178.18 g/mol, XLogP of -1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-2-ethoxyoxane-3,4,5-triol is sourced from PubChem (CID 163545288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).