(4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol

C8H16O4 — CID 118362949

IUPAC(4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol
SMILESCC1COC(O)(CO)C(O)[C@@H]1C
InChIInChI=1S/C8H16O4/c1-5-3-12-8(11,4-9)7(10)6(5)2/h5-7,9-11H,3-4H2,1-2H3/t5?,6-,7?,8?/m1/s1
InChIKeyHZSVHSCISVFOIJ-QQJWGCFSSA-N
MW176.21 g/mol
LogP-0.67
Rot. Bonds1

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

(4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol (PubChem CID 118362949) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol.

Molecular Properties

Compound Name(4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol
PubChem CID118362949
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol
SMILESCC1COC(O)(CO)C(O)[C@@H]1C
InChIInChI=1S/C8H16O4/c1-5-3-12-8(11,4-9)7(10)6(5)2/h5-7,9-11H,3-4H2,1-2H3/t5?,6-,7?,8?/m1/s1
InChIKeyHZSVHSCISVFOIJ-QQJWGCFSSA-N
XLogP-0.67
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71751872
(3S,4R,5S)-2-(hydroxymethyl)(513C)oxane-2,3,4,5-tetrol
CID 90472720
(4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 22814148
(2S,3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971021
[(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite
CID 175753100
(2R,3S,4S)-2-(hydroxymethyl)oxane-2,3,4,5,5-pentol
CID 130771848
2-(hydroxymethyl)oxane-2,3,5-triol
CID 91319547
5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane
CID 177060046
(4S,5R,6R)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-one
CID 11378826
(4S,5S,6S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-one
CID 25119139
(2R,3R,4R,5R)-2-ethyloxane-2,3,4,5-tetrol
CID 118332812
2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol
CID 177060045

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol?
The IUPAC name of (4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol (CID 118362949) is (4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol.
What is the SMILES notation for (4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol?
The canonical SMILES for (4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol is CC1COC(O)(CO)C(O)[C@@H]1C.
What is the InChIKey of (4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol?
The InChIKey is HZSVHSCISVFOIJ-QQJWGCFSSA-N. The full InChI is InChI=1S/C8H16O4/c1-5-3-12-8(11,4-9)7(10)6(5)2/h5-7,9-11H,3-4H2,1-2H3/t5?,6-,7?,8?/m1/s1.
What are the key properties of (4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol?
(4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol has a molecular weight of 176.21 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol is sourced from PubChem (CID 118362949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).