(2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol

C15H20O5 — CID 25163497

IUPAC(2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol
SMILESOCC[C@H]1C[C@@H](O)[C@H](O)[C@]2(CCc3ccccc3O2)O1
InChIInChI=1S/C15H20O5/c16-8-6-11-9-12(17)14(18)15(19-11)7-5-10-3-1-2-4-13(10)20-15/h1-4,11-12,14,16-18H,5-9H2/t11-,12+,14-,15+/m0/s1
InChIKeyLGEBLKYAEQEJIZ-MYZSUADSSA-N
MW280.32 g/mol
LogP0.60
Rot. Bonds2

About (2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol

(2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol (PubChem CID 25163497) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol.

Molecular Properties

Compound Name(2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol
PubChem CID25163497
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name(2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol
SMILESOCC[C@H]1C[C@@H](O)[C@H](O)[C@]2(CCc3ccccc3O2)O1
InChIInChI=1S/C15H20O5/c16-8-6-11-9-12(17)14(18)15(19-11)7-5-10-3-1-2-4-13(10)20-15/h1-4,11-12,14,16-18H,5-9H2/t11-,12+,14-,15+/m0/s1
InChIKeyLGEBLKYAEQEJIZ-MYZSUADSSA-N
XLogP0.60
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol?
The IUPAC name of (2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol (CID 25163497) is (2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol.
What is the SMILES notation for (2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol?
The canonical SMILES for (2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol is OCC[C@H]1C[C@@H](O)[C@H](O)[C@]2(CCc3ccccc3O2)O1.
What is the InChIKey of (2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol?
The InChIKey is LGEBLKYAEQEJIZ-MYZSUADSSA-N. The full InChI is InChI=1S/C15H20O5/c16-8-6-11-9-12(17)14(18)15(19-11)7-5-10-3-1-2-4-13(10)20-15/h1-4,11-12,14,16-18H,5-9H2/t11-,12+,14-,15+/m0/s1.
What are the key properties of (2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol?
(2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol has a molecular weight of 280.32 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3'S,4'R,6'S)-6'-(2-hydroxyethyl)spiro[3,4-dihydrochromene-2,2'-oxane]-3',4'-diol is sourced from PubChem (CID 25163497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).