(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol

C26H28O6 — CID 174562142

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol
SMILESOC[C@H]1OC(OCC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H28O6/c27-16-21-22(28)23(29)24(30)25(32-21)31-17-26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-25,27-30H,16-17H2/t21-,22-,23+,24-,25?/m1/s1
InChIKeyYTONXVWDUQXHOC-BIFUOPDKSA-N
MW436.50 g/mol
LogP1.84
Rot. Bonds7

About (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol (PubChem CID 174562142) has the molecular formula C26H28O6 and a molecular weight of 436.50 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol
PubChem CID174562142
Molecular FormulaC26H28O6
Molecular Weight436.50 g/mol
Exact Mass436.19
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol
SMILESOC[C@H]1OC(OCC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H28O6/c27-16-21-22(28)23(29)24(30)25(32-21)31-17-26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-25,27-30H,16-17H2/t21-,22-,23+,24-,25?/m1/s1
InChIKeyYTONXVWDUQXHOC-BIFUOPDKSA-N
XLogP1.84
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol
CID 172863653
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol
CID 54540379
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol
CID 174963793
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(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
(2R,4S,5S)-2-[2-[[2-[2,2-bis[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]hexyl]phenyl]methyl]-2-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]hexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 140913605
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
(2S,4S,5S)-2-(2,2-dimethylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160852140
(2S,4S,5S)-2-[2-amino-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71013396
1-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone
CID 91101493

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol (CID 174562142) is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol is OC[C@H]1OC(OCC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol?
The InChIKey is YTONXVWDUQXHOC-BIFUOPDKSA-N. The full InChI is InChI=1S/C26H28O6/c27-16-21-22(28)23(29)24(30)25(32-21)31-17-26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-25,27-30H,16-17H2/t21-,22-,23+,24-,25?/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol has a molecular weight of 436.50 g/mol, XLogP of 1.84, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol is sourced from PubChem (CID 174562142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).