(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol

C14H20O6 — CID 156582424

IUPAC(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@H](OCc2ccccc2)O[C@@H]1CO
InChIInChI=1S/C14H20O6/c1-18-13-10(7-15)20-14(12(17)11(13)16)19-8-9-5-3-2-4-6-9/h2-6,10-17H,7-8H2,1H3/t10-,11-,12-,13-,14-/m1/s1
InChIKeyHCNPVQBCTFFWPT-DHGKCCLASA-N
MW284.31 g/mol
LogP-0.34
Rot. Bonds5

About (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol

(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol (PubChem CID 156582424) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol
PubChem CID156582424
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@H](OCc2ccccc2)O[C@@H]1CO
InChIInChI=1S/C14H20O6/c1-18-13-10(7-15)20-14(12(17)11(13)16)19-8-9-5-3-2-4-6-9/h2-6,10-17H,7-8H2,1H3/t10-,11-,12-,13-,14-/m1/s1
InChIKeyHCNPVQBCTFFWPT-DHGKCCLASA-N
XLogP-0.34
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol (CID 156582424) is (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol is CO[C@H]1[C@H](O)[C@@H](O)[C@H](OCc2ccccc2)O[C@@H]1CO.
What is the InChIKey of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol?
The InChIKey is HCNPVQBCTFFWPT-DHGKCCLASA-N. The full InChI is InChI=1S/C14H20O6/c1-18-13-10(7-15)20-14(12(17)11(13)16)19-8-9-5-3-2-4-6-9/h2-6,10-17H,7-8H2,1H3/t10-,11-,12-,13-,14-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol?
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol has a molecular weight of 284.31 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-phenylmethoxyoxane-3,4-diol is sourced from PubChem (CID 156582424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).