6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane

C8H18O6 — CID 162165595

IUPAC6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
SMILESC.CC1(O)OC(CO)C(O)C(O)C1O
InChIInChI=1S/C7H14O6.CH4/c1-7(12)6(11)5(10)4(9)3(2-8)13-7;/h3-6,8-12H,2H2,1H3;1H4
InChIKeyZNBUKMOKSFCHMA-UHFFFAOYSA-N
MW210.23 g/mol
LogP-2.20
Rot. Bonds1

About 6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane

6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane (PubChem CID 162165595) has the molecular formula C8H18O6 and a molecular weight of 210.23 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
PubChem CID162165595
Molecular FormulaC8H18O6
Molecular Weight210.23 g/mol
Exact Mass210.11
IUPAC Name6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
SMILESC.CC1(O)OC(CO)C(O)C(O)C1O
InChIInChI=1S/C7H14O6.CH4/c1-7(12)6(11)5(10)4(9)3(2-8)13-7;/h3-6,8-12H,2H2,1H3;1H4
InChIKeyZNBUKMOKSFCHMA-UHFFFAOYSA-N
XLogP-2.20
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-2.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
(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
(2R,3S,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70179573
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane
CID 172738013
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2S,3R,4S,5S,6R)-2-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 141299257
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol
CID 141114206
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
(3R,4S,5S,6R)-2,2-diamino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171922004
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 57317456
1-[(2S,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone
CID 140998666

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane?
The IUPAC name of 6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane (CID 162165595) is 6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane.
What is the SMILES notation for 6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane?
The canonical SMILES for 6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane is C.CC1(O)OC(CO)C(O)C(O)C1O.
What is the InChIKey of 6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane?
The InChIKey is ZNBUKMOKSFCHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O6.CH4/c1-7(12)6(11)5(10)4(9)3(2-8)13-7;/h3-6,8-12H,2H2,1H3;1H4.
What are the key properties of 6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane?
6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane has a molecular weight of 210.23 g/mol, XLogP of -2.20, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane is sourced from PubChem (CID 162165595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).