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

C8H16O5 — CID 58212467

IUPAC(2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol
SMILESCOC[C@@]1(C)O[C@@H](CO)C(O)[C@H]1O
InChIInChI=1S/C8H16O5/c1-8(4-12-2)7(11)6(10)5(3-9)13-8/h5-7,9-11H,3-4H2,1-2H3/t5-,6?,7+,8+/m0/s1
InChIKeyXGQJOHZOCUVAPG-KTGGKTQHSA-N
MW192.21 g/mol
LogP-1.50
Rot. Bonds3

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

(2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol (PubChem CID 58212467) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol
PubChem CID58212467
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol
SMILESCOC[C@@]1(C)O[C@@H](CO)C(O)[C@H]1O
InChIInChI=1S/C8H16O5/c1-8(4-12-2)7(11)6(10)5(3-9)13-8/h5-7,9-11H,3-4H2,1-2H3/t5-,6?,7+,8+/m0/s1
InChIKeyXGQJOHZOCUVAPG-KTGGKTQHSA-N
XLogP-1.50
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-2-yl]propanenitrile
CID 70795442
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
CID 163493374
(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 57244459
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
CID 162165595
(2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 89336790
(2S,3R,4S,5R)-2-(chloromethyl)-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 130847553
(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol
CID 11529514
5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol
CID 59937976
(3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol
CID 70077095
(3R,4S,5S,6R)-2,2-diamino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171922004

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol (CID 58212467) is (2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol is COC[C@@]1(C)O[C@@H](CO)C(O)[C@H]1O.
What is the InChIKey of (2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol?
The InChIKey is XGQJOHZOCUVAPG-KTGGKTQHSA-N. The full InChI is InChI=1S/C8H16O5/c1-8(4-12-2)7(11)6(10)5(3-9)13-8/h5-7,9-11H,3-4H2,1-2H3/t5-,6?,7+,8+/m0/s1.
What are the key properties of (2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol?
(2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol has a molecular weight of 192.21 g/mol, XLogP of -1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-5-(hydroxymethyl)-2-(methoxymethyl)-2-methyloxolane-3,4-diol is sourced from PubChem (CID 58212467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).