(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol

C14H20O6 — CID 91580103

IUPAC(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol
SMILESCC(O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C14H20O6/c1-8(9-5-3-2-4-6-9)19-14-13(18)12(17)11(16)10(7-15)20-14/h2-6,8,10-18H,7H2,1H3/t8?,10-,11+,12+,13-,14+/m1/s1
InChIKeyFVJSVPNFQKQHOB-QAJGZVQLSA-N
MW284.31 g/mol
LogP-0.44
Rot. Bonds4

About (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol (PubChem CID 91580103) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol
PubChem CID91580103
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol
SMILESCC(O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C14H20O6/c1-8(9-5-3-2-4-6-9)19-14-13(18)12(17)11(16)10(7-15)20-14/h2-6,8,10-18H,7H2,1H3/t8?,10-,11+,12+,13-,14+/m1/s1
InChIKeyFVJSVPNFQKQHOB-QAJGZVQLSA-N
XLogP-0.44
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol (CID 91580103) is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol is CC(O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol?
The InChIKey is FVJSVPNFQKQHOB-QAJGZVQLSA-N. The full InChI is InChI=1S/C14H20O6/c1-8(9-5-3-2-4-6-9)19-14-13(18)12(17)11(16)10(7-15)20-14/h2-6,8,10-18H,7H2,1H3/t8?,10-,11+,12+,13-,14+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol?
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol has a molecular weight of 284.31 g/mol, XLogP of -0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1-phenylethoxy)oxane-3,4,5-triol is sourced from PubChem (CID 91580103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).