(3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol

C15H20O6 — CID 51358845

IUPAC(3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol
SMILESCOc1ccc2c(c1)CO[C@@]21O[C@H](CCO)C[C@H](O)[C@H]1O
InChIInChI=1S/C15H20O6/c1-19-10-2-3-12-9(6-10)8-20-15(12)14(18)13(17)7-11(21-15)4-5-16/h2-3,6,11,13-14,16-18H,4-5,7-8H2,1H3/t11-,13+,14-,15-/m1/s1
InChIKeySNRZXMOEZPTGQK-FAAHXZRKSA-N
MW296.32 g/mol
LogP0.27
Rot. Bonds3

About (3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol

(3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol (PubChem CID 51358845) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is (3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol.

Molecular Properties

Compound Name(3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol
PubChem CID51358845
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name(3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol
SMILESCOc1ccc2c(c1)CO[C@@]21O[C@H](CCO)C[C@H](O)[C@H]1O
InChIInChI=1S/C15H20O6/c1-19-10-2-3-12-9(6-10)8-20-15(12)14(18)13(17)7-11(21-15)4-5-16/h2-3,6,11,13-14,16-18H,4-5,7-8H2,1H3/t11-,13+,14-,15-/m1/s1
InChIKeySNRZXMOEZPTGQK-FAAHXZRKSA-N
XLogP0.27
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol?
The IUPAC name of (3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol (CID 51358845) is (3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol.
What is the SMILES notation for (3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol?
The canonical SMILES for (3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol is COc1ccc2c(c1)CO[C@@]21O[C@H](CCO)C[C@H](O)[C@H]1O.
What is the InChIKey of (3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol?
The InChIKey is SNRZXMOEZPTGQK-FAAHXZRKSA-N. The full InChI is InChI=1S/C15H20O6/c1-19-10-2-3-12-9(6-10)8-20-15(12)14(18)13(17)7-11(21-15)4-5-16/h2-3,6,11,13-14,16-18H,4-5,7-8H2,1H3/t11-,13+,14-,15-/m1/s1.
What are the key properties of (3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol?
(3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol has a molecular weight of 296.32 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-6-methoxyspiro[1H-2-benzofuran-3,2'-oxane]-3',4'-diol is sourced from PubChem (CID 51358845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).