(3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol

C6H12O5 — CID 91052962

IUPAC(3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
SMILESCO[C@H]1[C@H](O)C(O)O[C@@H]1CO
InChIInChI=1S/C6H12O5/c1-10-5-3(2-7)11-6(9)4(5)8/h3-9H,2H2,1H3/t3-,4+,5-,6?/m1/s1
InChIKeyVUCDSFNAYBQJKD-IANNHFEVSA-N
MW164.16 g/mol
LogP-1.93
Rot. Bonds2

About (3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol

(3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol (PubChem CID 91052962) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol.

Molecular Properties

Compound Name(3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
PubChem CID91052962
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
SMILESCO[C@H]1[C@H](O)C(O)O[C@@H]1CO
InChIInChI=1S/C6H12O5/c1-10-5-3(2-7)11-6(9)4(5)8/h3-9H,2H2,1H3/t3-,4+,5-,6?/m1/s1
InChIKeyVUCDSFNAYBQJKD-IANNHFEVSA-N
XLogP-1.93
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol?
The IUPAC name of (3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol (CID 91052962) is (3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol.
What is the SMILES notation for (3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol?
The canonical SMILES for (3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol is CO[C@H]1[C@H](O)C(O)O[C@@H]1CO.
What is the InChIKey of (3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol?
The InChIKey is VUCDSFNAYBQJKD-IANNHFEVSA-N. The full InChI is InChI=1S/C6H12O5/c1-10-5-3(2-7)11-6(9)4(5)8/h3-9H,2H2,1H3/t3-,4+,5-,6?/m1/s1.
What are the key properties of (3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol?
(3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol has a molecular weight of 164.16 g/mol, XLogP of -1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol is sourced from PubChem (CID 91052962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).