(7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one

C10H12O5 — CID 134150361

IUPAC(7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
SMILESCOc1cc(=O)oc2c1CO[C@@H](CO)C2
InChIInChI=1S/C10H12O5/c1-13-8-3-10(12)15-9-2-6(4-11)14-5-7(8)9/h3,6,11H,2,4-5H2,1H3/t6-/m1/s1
InChIKeyVNKUQKJXQNPVIM-ZCFIWIBFSA-N
MW212.20 g/mol
LogP0.08
Rot. Bonds2

About (7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one

(7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one (PubChem CID 134150361) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is (7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one.

Molecular Properties

Compound Name(7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
PubChem CID134150361
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name(7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
SMILESCOc1cc(=O)oc2c1CO[C@@H](CO)C2
InChIInChI=1S/C10H12O5/c1-13-8-3-10(12)15-9-2-6(4-11)14-5-7(8)9/h3,6,11H,2,4-5H2,1H3/t6-/m1/s1
InChIKeyVNKUQKJXQNPVIM-ZCFIWIBFSA-N
XLogP0.08
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
The IUPAC name of (7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one (CID 134150361) is (7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one.
What is the SMILES notation for (7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
The canonical SMILES for (7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one is COc1cc(=O)oc2c1CO[C@@H](CO)C2.
What is the InChIKey of (7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
The InChIKey is VNKUQKJXQNPVIM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12O5/c1-13-8-3-10(12)15-9-2-6(4-11)14-5-7(8)9/h3,6,11H,2,4-5H2,1H3/t6-/m1/s1.
What are the key properties of (7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one?
(7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one has a molecular weight of 212.20 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(hydroxymethyl)-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one is sourced from PubChem (CID 134150361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).