(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol

C14H20O6 — CID 54040662

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol
SMILESCO[C@H]1[C@H](Oc2ccccc2)O[C@H](CO)[C@@H](OC)[C@@H]1O
InChIInChI=1S/C14H20O6/c1-17-12-10(8-15)20-14(13(18-2)11(12)16)19-9-6-4-3-5-7-9/h3-7,10-16H,8H2,1-2H3/t10-,11+,12-,13-,14-/m1/s1
InChIKeyLMBXBSQGGSCPQS-XVIXHAIJSA-N
MW284.31 g/mol
LogP0.17
Rot. Bonds5

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol (PubChem CID 54040662) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol
PubChem CID54040662
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol
SMILESCO[C@H]1[C@H](Oc2ccccc2)O[C@H](CO)[C@@H](OC)[C@@H]1O
InChIInChI=1S/C14H20O6/c1-17-12-10(8-15)20-14(13(18-2)11(12)16)19-9-6-4-3-5-7-9/h3-7,10-16H,8H2,1-2H3/t10-,11+,12-,13-,14-/m1/s1
InChIKeyLMBXBSQGGSCPQS-XVIXHAIJSA-N
XLogP0.17
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
CID 70003357
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-2-(4-nitrophenoxy)oxane-3,4-diol
CID 101026203
[(2R,3R,4S,5S)-4,5-diacetyloxy-2-(hydroxymethyl)-6-phenoxyoxan-3-yl] acetate
CID 20688925
(3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol
CID 172642131
(3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol
CID 172642132
(2R,3R,4S,5R)-2-(hydroxymethyl)-4-methoxy-6-(4-methoxyphenoxy)oxane-3,5-diol
CID 146660886
[(2R,3S,4S,5R,6R)-6-(4-aminophenoxy)-3,4,5-trimethoxyoxan-2-yl]methanol
CID 70189759
[(2R,3R,4S,5R,6S)-6-phenoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 101199897
(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101471944
[(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-6-(4-nitrophenoxy)oxan-2-yl]methanol
CID 70343859
(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 153463753

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol (CID 54040662) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol is CO[C@H]1[C@H](Oc2ccccc2)O[C@H](CO)[C@@H](OC)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol?
The InChIKey is LMBXBSQGGSCPQS-XVIXHAIJSA-N. The full InChI is InChI=1S/C14H20O6/c1-17-12-10(8-15)20-14(13(18-2)11(12)16)19-9-6-4-3-5-7-9/h3-7,10-16H,8H2,1-2H3/t10-,11+,12-,13-,14-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol has a molecular weight of 284.31 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol is sourced from PubChem (CID 54040662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).