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

C17H26O6 — CID 102065433

IUPAC(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OCCCCCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C17H26O6/c18-11-13-14(19)15(20)16(21)17(23-13)22-10-6-2-5-9-12-7-3-1-4-8-12/h1,3-4,7-8,13-21H,2,5-6,9-11H2/t13-,14-,15+,16+,17-/m1/s1
InChIKeyRDTNQDQALRQETG-UHDSXZAQSA-N
MW326.39 g/mol
LogP0.22
Rot. Bonds8

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

(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol (PubChem CID 102065433) has the molecular formula C17H26O6 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol
PubChem CID102065433
Molecular FormulaC17H26O6
Molecular Weight326.39 g/mol
Exact Mass326.17
IUPAC Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OCCCCCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C17H26O6/c18-11-13-14(19)15(20)16(21)17(23-13)22-10-6-2-5-9-12-7-3-1-4-8-12/h1,3-4,7-8,13-21H,2,5-6,9-11H2/t13-,14-,15+,16+,17-/m1/s1
InChIKeyRDTNQDQALRQETG-UHDSXZAQSA-N
XLogP0.22
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-fluorophenyl)butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 148709502
(2S,3R,4S,5S,6R)-2-(4-benzylsulfanylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 68537800
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(5-phenylpentoxy)oxan-3-yl]acetamide
CID 102065434
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
dibenzyl 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl phosphite
CID 146479560
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[4-[(2-methylphenyl)methoxy]phenyl]butoxy]oxane-3,4,5-triol
CID 159323009
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1-methoxy-5-phenylpentoxy)oxane-3,4,5-triol
CID 175108456
2-[4-(4-phenylbutyl)phenyl]-N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide
CID 59745013
2-[4-(1,3-benzodioxol-5-yl)butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 149471263
(3R,4S,5S,6R)-2-(3-phenylpropyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 66960662

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol (CID 102065433) is (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol is OC[C@H]1O[C@@H](OCCCCCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol?
The InChIKey is RDTNQDQALRQETG-UHDSXZAQSA-N. The full InChI is InChI=1S/C17H26O6/c18-11-13-14(19)15(20)16(21)17(23-13)22-10-6-2-5-9-12-7-3-1-4-8-12/h1,3-4,7-8,13-21H,2,5-6,9-11H2/t13-,14-,15+,16+,17-/m1/s1.
What are the key properties of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol?
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol has a molecular weight of 326.39 g/mol, XLogP of 0.22, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol is sourced from PubChem (CID 102065433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).