(3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol

C10H20O4 — CID 58716425

IUPAC(3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)(C)[C@H]1CC(O)[C@@H](O)C(CO)O1
InChIInChI=1S/C10H20O4/c1-10(2,3)8-4-6(12)9(13)7(5-11)14-8/h6-9,11-13H,4-5H2,1-3H3/t6?,7?,8-,9-/m1/s1
InChIKeyAZMULGAVZHBBSG-GEPGNKONSA-N
MW204.27 g/mol
LogP-0.10
Rot. Bonds1

About (3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol

(3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 58716425) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID58716425
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)(C)[C@H]1CC(O)[C@@H](O)C(CO)O1
InChIInChI=1S/C10H20O4/c1-10(2,3)8-4-6(12)9(13)7(5-11)14-8/h6-9,11-13H,4-5H2,1-3H3/t6?,7?,8-,9-/m1/s1
InChIKeyAZMULGAVZHBBSG-GEPGNKONSA-N
XLogP-0.10
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70641511
(2R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7057906
(2R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 148934060
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338
2-(hydroxymethyl)-6-pentyloxane-3,4-diol
CID 91192531
(2R,3S,4R,6S)-6-butan-2-yloxy-2-(hydroxymethyl)oxane-3,4-diol
CID 102217415
(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol
CID 176683102
6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 123931534

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol (CID 58716425) is (3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol is CC(C)(C)[C@H]1CC(O)[C@@H](O)C(CO)O1.
What is the InChIKey of (3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is AZMULGAVZHBBSG-GEPGNKONSA-N. The full InChI is InChI=1S/C10H20O4/c1-10(2,3)8-4-6(12)9(13)7(5-11)14-8/h6-9,11-13H,4-5H2,1-3H3/t6?,7?,8-,9-/m1/s1.
What are the key properties of (3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol?
(3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 204.27 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 58716425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).