(2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol

C8H16O6 — CID 69029255

IUPAC(2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol
SMILESCO[C@@H]1[C@@H](O)[C@H]([C@@H](CO)OC)O[C@@H]1O
InChIInChI=1S/C8H16O6/c1-12-4(3-9)6-5(10)7(13-2)8(11)14-6/h4-11H,3H2,1-2H3/t4-,5+,6+,7-,8+/m1/s1
InChIKeyUAHLEXYDDLMEMS-HNEXDWKRSA-N
MW208.21 g/mol
LogP-1.91
Rot. Bonds4

About (2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol

(2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol (PubChem CID 69029255) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol
PubChem CID69029255
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol
SMILESCO[C@@H]1[C@@H](O)[C@H]([C@@H](CO)OC)O[C@@H]1O
InChIInChI=1S/C8H16O6/c1-12-4(3-9)6-5(10)7(13-2)8(11)14-6/h4-11H,3H2,1-2H3/t4-,5+,6+,7-,8+/m1/s1
InChIKeyUAHLEXYDDLMEMS-HNEXDWKRSA-N
XLogP-1.91
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol?
The IUPAC name of (2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol (CID 69029255) is (2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol.
What is the SMILES notation for (2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol?
The canonical SMILES for (2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol is CO[C@@H]1[C@@H](O)[C@H]([C@@H](CO)OC)O[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol?
The InChIKey is UAHLEXYDDLMEMS-HNEXDWKRSA-N. The full InChI is InChI=1S/C8H16O6/c1-12-4(3-9)6-5(10)7(13-2)8(11)14-6/h4-11H,3H2,1-2H3/t4-,5+,6+,7-,8+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol?
(2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol has a molecular weight of 208.21 g/mol, XLogP of -1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol is sourced from PubChem (CID 69029255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).