(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol

C16H24O6 — CID 141165758

IUPAC(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol
SMILESCOc1ccccc1CCC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H24O6/c1-21-11-7-3-2-5-10(11)6-4-8-12-14(18)16(20)15(19)13(9-17)22-12/h2-3,5,7,12-20H,4,6,8-9H2,1H3/t12-,13+,14-,15+,16+/m0/s1
InChIKeyJDCYKINVSLTVEK-ZVDSWSACSA-N
MW312.36 g/mol
LogP-0.14
Rot. Bonds6

About (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol (PubChem CID 141165758) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol
PubChem CID141165758
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol
SMILESCOc1ccccc1CCC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H24O6/c1-21-11-7-3-2-5-10(11)6-4-8-12-14(18)16(20)15(19)13(9-17)22-12/h2-3,5,7,12-20H,4,6,8-9H2,1H3/t12-,13+,14-,15+,16+/m0/s1
InChIKeyJDCYKINVSLTVEK-ZVDSWSACSA-N
XLogP-0.14
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol (CID 141165758) is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol is COc1ccccc1CCC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol?
The InChIKey is JDCYKINVSLTVEK-ZVDSWSACSA-N. The full InChI is InChI=1S/C16H24O6/c1-21-11-7-3-2-5-10(11)6-4-8-12-14(18)16(20)15(19)13(9-17)22-12/h2-3,5,7,12-20H,4,6,8-9H2,1H3/t12-,13+,14-,15+,16+/m0/s1.
What are the key properties of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol?
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol has a molecular weight of 312.36 g/mol, XLogP of -0.14, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(2-methoxyphenyl)propyl]oxane-3,4,5-triol is sourced from PubChem (CID 141165758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).