(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol

C11H14O5 — CID 70003357

IUPAC(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
SMILESOC[C@H]1OC(Oc2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H14O5/c12-6-8-9(13)10(14)11(16-8)15-7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9-,10+,11?/m1/s1
InChIKeyWZMSBIOCODYZPT-NFLHVTIKSA-N
MW226.23 g/mol
LogP-0.50
Rot. Bonds3

About (2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol

(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol (PubChem CID 70003357) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is (2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
PubChem CID70003357
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
SMILESOC[C@H]1OC(Oc2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H14O5/c12-6-8-9(13)10(14)11(16-8)15-7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9-,10+,11?/m1/s1
InChIKeyWZMSBIOCODYZPT-NFLHVTIKSA-N
XLogP-0.50
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 54569433
(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
(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
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(3S,6R)-2-(hydroxymethyl)-6-[4-[4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]oxane-3,4,5-triol
CID 134423364
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-(4-hydroxyphenoxy)oxolane-3,4-diol
CID 54430133
phenyl-[4-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methanone
CID 102410375
acetonitrile;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 70170998
(3R,4S,5S,6R)-2-(4-fluorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90014619

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol?
The IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol (CID 70003357) is (2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol is OC[C@H]1OC(Oc2ccccc2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol?
The InChIKey is WZMSBIOCODYZPT-NFLHVTIKSA-N. The full InChI is InChI=1S/C11H14O5/c12-6-8-9(13)10(14)11(16-8)15-7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9-,10+,11?/m1/s1.
What are the key properties of (2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol?
(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol has a molecular weight of 226.23 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol is sourced from PubChem (CID 70003357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).