(2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol

C12H16O5 — CID 511912

IUPAC(2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol
SMILESOC[C@@H]1C[C@H](O)[C@@H](O)[C@H](Oc2ccccc2)O1
InChIInChI=1S/C12H16O5/c13-7-9-6-10(14)11(15)12(17-9)16-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12+/m0/s1
InChIKeySSLFIIKNQZWQNV-NNYUYHANSA-N
MW240.25 g/mol
LogP-0.11
Rot. Bonds3

About (2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol

(2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol (PubChem CID 511912) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol
PubChem CID511912
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol
SMILESOC[C@@H]1C[C@H](O)[C@@H](O)[C@H](Oc2ccccc2)O1
InChIInChI=1S/C12H16O5/c13-7-9-6-10(14)11(15)12(17-9)16-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12+/m0/s1
InChIKeySSLFIIKNQZWQNV-NNYUYHANSA-N
XLogP-0.11
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol?
The IUPAC name of (2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol (CID 511912) is (2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol?
The canonical SMILES for (2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol is OC[C@@H]1C[C@H](O)[C@@H](O)[C@H](Oc2ccccc2)O1.
What is the InChIKey of (2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol?
The InChIKey is SSLFIIKNQZWQNV-NNYUYHANSA-N. The full InChI is InChI=1S/C12H16O5/c13-7-9-6-10(14)11(15)12(17-9)16-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12+/m0/s1.
What are the key properties of (2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol?
(2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol has a molecular weight of 240.25 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6S)-6-(hydroxymethyl)-2-phenoxyoxane-3,4-diol is sourced from PubChem (CID 511912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).