(2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol

C14H22O7 — CID 174963793

IUPAC(2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol
SMILESCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.Oc1ccccc1
InChIInChI=1S/C8H16O6.C6H6O/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8;7-6-4-2-1-3-5-6/h4-12H,2-3H2,1H3;1-5,7H/t4-,5+,6+,7-,8-;/m1./s1
InChIKeyBCMMOBYEBPNHJL-AGOZRGOYSA-N
MW302.32 g/mol
LogP-0.79
Rot. Bonds3

About (2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol

(2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol (PubChem CID 174963793) has the molecular formula C14H22O7 and a molecular weight of 302.32 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol
PubChem CID174963793
Molecular FormulaC14H22O7
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name(2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol
SMILESCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.Oc1ccccc1
InChIInChI=1S/C8H16O6.C6H6O/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8;7-6-4-2-1-3-5-6/h4-12H,2-3H2,1H3;1-5,7H/t4-,5+,6+,7-,8-;/m1./s1
InChIKeyBCMMOBYEBPNHJL-AGOZRGOYSA-N
XLogP-0.79
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3S,4S,5S,6S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91694274
(3R,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167273002
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67410978
(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160607316
(2R,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121419897
(2R,3S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121297517
actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59059867
(2R,3R,4R,5R)-2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 14353032
2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 548249
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol;phenol
CID 131712515

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol (CID 174963793) is (2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol is CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.Oc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol?
The InChIKey is BCMMOBYEBPNHJL-AGOZRGOYSA-N. The full InChI is InChI=1S/C8H16O6.C6H6O/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8;7-6-4-2-1-3-5-6/h4-12H,2-3H2,1H3;1-5,7H/t4-,5+,6+,7-,8-;/m1./s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol?
(2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol has a molecular weight of 302.32 g/mol, XLogP of -0.79, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol is sourced from PubChem (CID 174963793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).