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

C7H14O5 — CID 90196477

IUPAC(4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
SMILESCC1C(O)OC(CO)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O5/c1-3-5(9)6(10)4(2-8)12-7(3)11/h3-11H,2H2,1H3/t3?,4?,5-,6-,7?/m0/s1
InChIKeyYVJXTNFYGMZWPR-YDHXXATLSA-N
MW178.18 g/mol
LogP-1.95
Rot. Bonds1

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

(4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol (PubChem CID 90196477) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol.

Molecular Properties

Compound Name(4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
PubChem CID90196477
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
SMILESCC1C(O)OC(CO)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O5/c1-3-5(9)6(10)4(2-8)12-7(3)11/h3-11H,2H2,1H3/t3?,4?,5-,6-,7?/m0/s1
InChIKeyYVJXTNFYGMZWPR-YDHXXATLSA-N
XLogP-1.95
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,6R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol
CID 163424512
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol
CID 165082057
(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol
CID 90247742
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518
(2S,3R,5S)-6-(hydroxymethyl)-4-methyloxane-2,3,5-triol
CID 148775123
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 144927729
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol?
The IUPAC name of (4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol (CID 90196477) is (4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol.
What is the SMILES notation for (4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol?
The canonical SMILES for (4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol is CC1C(O)OC(CO)[C@H](O)[C@H]1O.
What is the InChIKey of (4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol?
The InChIKey is YVJXTNFYGMZWPR-YDHXXATLSA-N. The full InChI is InChI=1S/C7H14O5/c1-3-5(9)6(10)4(2-8)12-7(3)11/h3-11H,2H2,1H3/t3?,4?,5-,6-,7?/m0/s1.
What are the key properties of (4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol?
(4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol has a molecular weight of 178.18 g/mol, XLogP of -1.95, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-6-(hydroxymethyl)-3-methyloxane-2,4,5-triol is sourced from PubChem (CID 90196477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).