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

C14H20O6 — CID 15235478

IUPAC(3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol
SMILESOC[C@H]1OC(O)[C@H](CO)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H20O6/c15-6-10-12(17)13(11(7-16)20-14(10)18)19-8-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12-,13-,14?/m1/s1
InChIKeyNONQPVAUURCRFQ-GNMOMJPPSA-N
MW284.31 g/mol
LogP-0.75
Rot. Bonds5

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

(3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol (PubChem CID 15235478) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol.

Molecular Properties

Compound Name(3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol
PubChem CID15235478
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol
SMILESOC[C@H]1OC(O)[C@H](CO)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H20O6/c15-6-10-12(17)13(11(7-16)20-14(10)18)19-8-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12-,13-,14?/m1/s1
InChIKeyNONQPVAUURCRFQ-GNMOMJPPSA-N
XLogP-0.75
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(2S,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-phenylmethoxyoxolan-3-ol
CID 10800923
4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
CID 14139647
(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
CID 131023997
(3R,4S,5R,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-ol
CID 91602456
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
[(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 13009797
(2S,3S,4S,5S,6R)-6-[(2R,3R,4R,5R,6S)-5-hydroxy-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-3-ol
CID 99694818
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736
(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 10950430

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol?
The IUPAC name of (3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol (CID 15235478) is (3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol.
What is the SMILES notation for (3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol?
The canonical SMILES for (3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol is OC[C@H]1OC(O)[C@H](CO)[C@@H](O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol?
The InChIKey is NONQPVAUURCRFQ-GNMOMJPPSA-N. The full InChI is InChI=1S/C14H20O6/c15-6-10-12(17)13(11(7-16)20-14(10)18)19-8-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12-,13-,14?/m1/s1.
What are the key properties of (3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol?
(3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol has a molecular weight of 284.31 g/mol, XLogP of -0.75, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol is sourced from PubChem (CID 15235478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).