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

C7H14O6 — CID 118591755

IUPAC(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
SMILESC[C@]1(O)OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C7H14O6/c1-7(12)6(11)5(10)4(9)3(2-8)13-7/h3-6,8-12H,2H2,1H3/t3?,4-,5+,6?,7+/m1/s1
InChIKeyYBLJYSTXRAWBBH-UACUTCHMSA-N
MW194.18 g/mol
LogP-2.83
Rot. Bonds1

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

(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol (PubChem CID 118591755) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
PubChem CID118591755
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
SMILESC[C@]1(O)OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C7H14O6/c1-7(12)6(11)5(10)4(9)3(2-8)13-7/h3-6,8-12H,2H2,1H3/t3?,4-,5+,6?,7+/m1/s1
InChIKeyYBLJYSTXRAWBBH-UACUTCHMSA-N
XLogP-2.83
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-2.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
CID 162165595
(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
(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
(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
(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 (2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol?
The IUPAC name of (2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol (CID 118591755) is (2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol is C[C@]1(O)OC(CO)[C@@H](O)[C@H](O)C1O.
What is the InChIKey of (2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol?
The InChIKey is YBLJYSTXRAWBBH-UACUTCHMSA-N. The full InChI is InChI=1S/C7H14O6/c1-7(12)6(11)5(10)4(9)3(2-8)13-7/h3-6,8-12H,2H2,1H3/t3?,4-,5+,6?,7+/m1/s1.
What are the key properties of (2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol?
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol has a molecular weight of 194.18 g/mol, XLogP of -2.83, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 118591755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).