(4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one

C6H10O4 — CID 13330008

IUPAC(4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one
SMILESCO[C@@H]1CC(=O)O[C@@H]1CO
InChIInChI=1S/C6H10O4/c1-9-4-2-6(8)10-5(4)3-7/h4-5,7H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyCFNNBGHLPFGIRJ-RFZPGFLSSA-N
MW146.14 g/mol
LogP-0.69
Rot. Bonds2

About (4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one

(4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one (PubChem CID 13330008) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one
PubChem CID13330008
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one
SMILESCO[C@@H]1CC(=O)O[C@@H]1CO
InChIInChI=1S/C6H10O4/c1-9-4-2-6(8)10-5(4)3-7/h4-5,7H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyCFNNBGHLPFGIRJ-RFZPGFLSSA-N
XLogP-0.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one
CID 10820549
[(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate
CID 11359830
5-hydroxy-4-methoxy-6-methyloxan-2-one
CID 18534399
(3S,4R,5S)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-one
CID 22887066
(4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one
CID 131131118
(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol
CID 131019515
(4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one
CID 102211064
[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 102375568
(3aS,4R,6R,7R,7aR)-7-hydroxy-4-(hydroxymethyl)-6-methoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
CID 15690739
6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
CID 170688748
(2S,3S,3aS,6aS)-3-hydroxy-2-(hydroxymethyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11148015

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one?
The IUPAC name of (4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one (CID 13330008) is (4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one.
What is the SMILES notation for (4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one?
The canonical SMILES for (4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one is CO[C@@H]1CC(=O)O[C@@H]1CO.
What is the InChIKey of (4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one?
The InChIKey is CFNNBGHLPFGIRJ-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H10O4/c1-9-4-2-6(8)10-5(4)3-7/h4-5,7H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of (4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one?
(4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one has a molecular weight of 146.14 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one is sourced from PubChem (CID 13330008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).