(3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol

C8H16O6 — CID 7784271

IUPAC(3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol
SMILESOC[C@H]1COC[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O6/c9-1-4-2-14-3-5(10)7(12)8(13)6(4)11/h4-13H,1-3H2/t4-,5-,6+,7+,8-/m0/s1
InChIKeyQFYRVZVIXFMWPS-TXXZRHAASA-N
MW208.21 g/mol
LogP-2.93
Rot. Bonds1

About (3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol

(3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol (PubChem CID 7784271) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol.

Molecular Properties

Compound Name(3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol
PubChem CID7784271
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol
SMILESOC[C@H]1COC[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O6/c9-1-4-2-14-3-5(10)7(12)8(13)6(4)11/h4-13H,1-3H2/t4-,5-,6+,7+,8-/m0/s1
InChIKeyQFYRVZVIXFMWPS-TXXZRHAASA-N
XLogP-2.93
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-2.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-(hydroxymethyl)oxepane-4,5-diol
CID 146664053
(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 176819979
(1S,2S,3S,4S,5R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 11332802
CID 157394742
CID 157394742
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
(2S,3S,4R,5R)-5-(hydroxymethyl)oxane-2,3,4-triol
CID 175738695
[(3R,4S)-4-aminooxolan-3-yl]methanol
CID 131463106
(4-methyloxolan-3-yl)methanol
CID 53402099
(1R,2R,3R,4S)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 6102431
[(3R,4S)-4-methyloxolan-3-yl]methanol
CID 95165244
5-[[4,5,6-trihydroxy-7-(hydroxymethyl)oxocan-3-yl]-(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 154774376
(3S)-4-ethyloxolan-3-ol
CID 147211957

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol?
The IUPAC name of (3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol (CID 7784271) is (3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol.
What is the SMILES notation for (3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol?
The canonical SMILES for (3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol is OC[C@H]1COC[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol?
The InChIKey is QFYRVZVIXFMWPS-TXXZRHAASA-N. The full InChI is InChI=1S/C8H16O6/c9-1-4-2-14-3-5(10)7(12)8(13)6(4)11/h4-13H,1-3H2/t4-,5-,6+,7+,8-/m0/s1.
What are the key properties of (3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol?
(3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol has a molecular weight of 208.21 g/mol, XLogP of -2.93, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol is sourced from PubChem (CID 7784271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).