(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol

C17H26O7 — CID 23653938

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol
SMILESCCC(CC)c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O
InChIInChI=1S/C17H26O7/c1-3-9(4-2)11-6-5-10(7-12(11)19)23-17-16(22)15(21)14(20)13(8-18)24-17/h5-7,9,13-22H,3-4,8H2,1-2H3/t13-,14-,15+,16-,17+/m1/s1
InChIKeyODEDPNCTIUNGIM-UUAJXVIYSA-N
MW342.39 g/mol
LogP0.47
Rot. Bonds6

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol (PubChem CID 23653938) has the molecular formula C17H26O7 and a molecular weight of 342.39 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol
PubChem CID23653938
Molecular FormulaC17H26O7
Molecular Weight342.39 g/mol
Exact Mass342.17
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol
SMILESCCC(CC)c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O
InChIInChI=1S/C17H26O7/c1-3-9(4-2)11-6-5-10(7-12(11)19)23-17-16(22)15(21)14(20)13(8-18)24-17/h5-7,9,13-22H,3-4,8H2,1-2H3/t13-,14-,15+,16-,17+/m1/s1
InChIKeyODEDPNCTIUNGIM-UUAJXVIYSA-N
XLogP0.47
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol;methanol
CID 90002408
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-(4-hydroxyphenoxy)oxolane-3,4-diol
CID 54430133
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 2844791
(2R,3R,4R,5R,6S)-2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 1379856
(2S,3R,4R,5S,6S)-2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7071601
propyl 2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
CID 54084062
butyl 2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
CID 54392356
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(4-hydroxyphenyl)phenoxy]oxane-3,4,5-triol
CID 46838355
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4,5-triol
CID 26917484
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol (CID 23653938) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol is CCC(CC)c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol?
The InChIKey is ODEDPNCTIUNGIM-UUAJXVIYSA-N. The full InChI is InChI=1S/C17H26O7/c1-3-9(4-2)11-6-5-10(7-12(11)19)23-17-16(22)15(21)14(20)13(8-18)24-17/h5-7,9,13-22H,3-4,8H2,1-2H3/t13-,14-,15+,16-,17+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol has a molecular weight of 342.39 g/mol, XLogP of 0.47, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol is sourced from PubChem (CID 23653938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).