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

C6H12O4 — CID 59169178

IUPAC(3R,4S,5R)-5-ethyloxolane-2,3,4-triol
SMILESCC[C@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O4/c1-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6?/m1/s1
InChIKeyZQDDMFCVRKBPNV-JDJSBBGDSA-N
MW148.16 g/mol
LogP-1.16
Rot. Bonds1

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

(3R,4S,5R)-5-ethyloxolane-2,3,4-triol (PubChem CID 59169178) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (3R,4S,5R)-5-ethyloxolane-2,3,4-triol.

Molecular Properties

Compound Name(3R,4S,5R)-5-ethyloxolane-2,3,4-triol
PubChem CID59169178
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(3R,4S,5R)-5-ethyloxolane-2,3,4-triol
SMILESCC[C@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O4/c1-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6?/m1/s1
InChIKeyZQDDMFCVRKBPNV-JDJSBBGDSA-N
XLogP-1.16
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-6-ethyloxane-2,3,4,5-tetrol
CID 163614233
(2R,6S)-6-ethyloxane-2,3,4,5-tetrol
CID 138718011
(2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol
CID 58340219
(6R)-6-ethyloxane-2,3,4,5-tetrol
CID 59974126
(4S,5S)-6-ethyl-4-methyloxane-2,3,5-triol
CID 90429062
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59615653
(2R,3S,4R,5S,6R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 131178866
ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 167433871
(2R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89021671
(2R,4R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89053522
5-ethyl-4-methyloxolane-2,3-diol
CID 21338247
(2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 163711682

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-ethyloxolane-2,3,4-triol?
The IUPAC name of (3R,4S,5R)-5-ethyloxolane-2,3,4-triol (CID 59169178) is (3R,4S,5R)-5-ethyloxolane-2,3,4-triol.
What is the SMILES notation for (3R,4S,5R)-5-ethyloxolane-2,3,4-triol?
The canonical SMILES for (3R,4S,5R)-5-ethyloxolane-2,3,4-triol is CC[C@H]1OC(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5R)-5-ethyloxolane-2,3,4-triol?
The InChIKey is ZQDDMFCVRKBPNV-JDJSBBGDSA-N. The full InChI is InChI=1S/C6H12O4/c1-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6?/m1/s1.
What are the key properties of (3R,4S,5R)-5-ethyloxolane-2,3,4-triol?
(3R,4S,5R)-5-ethyloxolane-2,3,4-triol has a molecular weight of 148.16 g/mol, XLogP of -1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-ethyloxolane-2,3,4-triol is sourced from PubChem (CID 59169178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).