(2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol

C9H20O6 — CID 54095596

IUPAC(2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol
SMILESCOC[C@@H](O)[C@@H](OC)[C@H](OC)[C@H](O)CO
InChIInChI=1S/C9H20O6/c1-13-5-7(12)9(15-3)8(14-2)6(11)4-10/h6-12H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1
InChIKeyMWWIYUHBCFDGTR-FNCVBFRFSA-N
MW224.25 g/mol
LogP-1.62
Rot. Bonds8

About (2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol

(2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol (PubChem CID 54095596) has the molecular formula C9H20O6 and a molecular weight of 224.25 g/mol. Its IUPAC name is (2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol
PubChem CID54095596
Molecular FormulaC9H20O6
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Name(2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol
SMILESCOC[C@@H](O)[C@@H](OC)[C@H](OC)[C@H](O)CO
InChIInChI=1S/C9H20O6/c1-13-5-7(12)9(15-3)8(14-2)6(11)4-10/h6-12H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1
InChIKeyMWWIYUHBCFDGTR-FNCVBFRFSA-N
XLogP-1.62
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol?
The IUPAC name of (2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol (CID 54095596) is (2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol.
What is the SMILES notation for (2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol?
The canonical SMILES for (2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol is COC[C@@H](O)[C@@H](OC)[C@H](OC)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol?
The InChIKey is MWWIYUHBCFDGTR-FNCVBFRFSA-N. The full InChI is InChI=1S/C9H20O6/c1-13-5-7(12)9(15-3)8(14-2)6(11)4-10/h6-12H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol?
(2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol has a molecular weight of 224.25 g/mol, XLogP of -1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-3,4,6-trimethoxyhexane-1,2,5-triol is sourced from PubChem (CID 54095596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).