(3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol

C15H22O5 — CID 66823010

IUPAC(3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol
SMILESOC(CCc1ccccc1)CC1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H22O5/c16-11(7-6-10-4-2-1-3-5-10)8-13-15(19)14(18)12(17)9-20-13/h1-5,11-19H,6-9H2/t11?,12-,13?,14+,15+/m1/s1
InChIKeyLZUMGBRJHZZBPO-PPJOZLOBSA-N
MW282.34 g/mol
LogP-0.15
Rot. Bonds5

About (3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol

(3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol (PubChem CID 66823010) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol
PubChem CID66823010
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol
SMILESOC(CCc1ccccc1)CC1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H22O5/c16-11(7-6-10-4-2-1-3-5-10)8-13-15(19)14(18)12(17)9-20-13/h1-5,11-19H,6-9H2/t11?,12-,13?,14+,15+/m1/s1
InChIKeyLZUMGBRJHZZBPO-PPJOZLOBSA-N
XLogP-0.15
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-hydroxy-4-(4-hydroxyphenyl)butyl]oxane-3,4,5-triol
CID 75181127
2-[2-(methoxyamino)-4-phenylbutyl]oxane-3,4,5-triol
CID 123753142
2-[2-hydroxy-4-(3,4,5-trimethoxyphenyl)butyl]oxane-3,4,5-triol
CID 123561847
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
(2R,3R,4S,5S,6R)-2-[(2S)-4-phenylbutan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 23630788
(2S,3R,4S,5R)-2-(2-methylpropyl)oxane-3,4,5-triol
CID 70507894
(3R,4R,5S,6R)-2-[2-hydroxy-4-(4-hydroxyphenyl)butyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70651319
(1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol
CID 143063579
(3R)-1-phenyl-5-trimethylsilylpentan-3-ol
CID 11601130
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
(2R,3R,4R,5S,6S)-2-(2-phenylethoxy)-6-[[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 162882757

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol?
The IUPAC name of (3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol (CID 66823010) is (3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol.
What is the SMILES notation for (3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol?
The canonical SMILES for (3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol is OC(CCc1ccccc1)CC1OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol?
The InChIKey is LZUMGBRJHZZBPO-PPJOZLOBSA-N. The full InChI is InChI=1S/C15H22O5/c16-11(7-6-10-4-2-1-3-5-10)8-13-15(19)14(18)12(17)9-20-13/h1-5,11-19H,6-9H2/t11?,12-,13?,14+,15+/m1/s1.
What are the key properties of (3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol?
(3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol has a molecular weight of 282.34 g/mol, XLogP of -0.15, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol is sourced from PubChem (CID 66823010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).