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

C7H14O6 — CID 162851608

IUPAC(2S,3R,4R,5R)-3-(hydroxymethyl)-2,5-dimethoxyoxolane-3,4-diol
SMILESCO[C@@H]1O[C@H](OC)[C@@](O)(CO)[C@H]1O
InChIInChI=1S/C7H14O6/c1-11-5-4(9)7(10,3-8)6(12-2)13-5/h4-6,8-10H,3H2,1-2H3/t4-,5+,6-,7+/m0/s1
InChIKeyRZWXIHZVIDLDSL-BNHYGAARSA-N
MW194.18 g/mol
LogP-1.95
Rot. Bonds3

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

(2S,3R,4R,5R)-3-(hydroxymethyl)-2,5-dimethoxyoxolane-3,4-diol (PubChem CID 162851608) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (2S,3R,4R,5R)-3-(hydroxymethyl)-2,5-dimethoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-3-(hydroxymethyl)-2,5-dimethoxyoxolane-3,4-diol
PubChem CID162851608
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(2S,3R,4R,5R)-3-(hydroxymethyl)-2,5-dimethoxyoxolane-3,4-diol
SMILESCO[C@@H]1O[C@H](OC)[C@@](O)(CO)[C@H]1O
InChIInChI=1S/C7H14O6/c1-11-5-4(9)7(10,3-8)6(12-2)13-5/h4-6,8-10H,3H2,1-2H3/t4-,5+,6-,7+/m0/s1
InChIKeyRZWXIHZVIDLDSL-BNHYGAARSA-N
XLogP-1.95
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-3-(hydroxymethyl)-2,5-dimethoxyoxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-3-(hydroxymethyl)-2,5-dimethoxyoxolane-3,4-diol (CID 162851608) is (2S,3R,4R,5R)-3-(hydroxymethyl)-2,5-dimethoxyoxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-3-(hydroxymethyl)-2,5-dimethoxyoxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-3-(hydroxymethyl)-2,5-dimethoxyoxolane-3,4-diol is CO[C@@H]1O[C@H](OC)[C@@](O)(CO)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-3-(hydroxymethyl)-2,5-dimethoxyoxolane-3,4-diol?
The InChIKey is RZWXIHZVIDLDSL-BNHYGAARSA-N. The full InChI is InChI=1S/C7H14O6/c1-11-5-4(9)7(10,3-8)6(12-2)13-5/h4-6,8-10H,3H2,1-2H3/t4-,5+,6-,7+/m0/s1.
What are the key properties of (2S,3R,4R,5R)-3-(hydroxymethyl)-2,5-dimethoxyoxolane-3,4-diol?
(2S,3R,4R,5R)-3-(hydroxymethyl)-2,5-dimethoxyoxolane-3,4-diol has a molecular weight of 194.18 g/mol, XLogP of -1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-3-(hydroxymethyl)-2,5-dimethoxyoxolane-3,4-diol is sourced from PubChem (CID 162851608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).