(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol

C8H16O4 — CID 58017669

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)OC[C@H]1C
InChIInChI=1S/C8H16O4/c1-5-4-12-6(3-9)7(10)8(5)11-2/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8+/m1/s1
InChIKeyYQJYLRAPISSQNQ-XUTVFYLZSA-N
MW176.21 g/mol
LogP-0.61
Rot. Bonds2

About (2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol

(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol (PubChem CID 58017669) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
PubChem CID58017669
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
SMILESCO[C@@H]1[C@H](O)[C@@H](CO)OC[C@H]1C
InChIInChI=1S/C8H16O4/c1-5-4-12-6(3-9)7(10)8(5)11-2/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8+/m1/s1
InChIKeyYQJYLRAPISSQNQ-XUTVFYLZSA-N
XLogP-0.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol (CID 58017669) is (2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol is CO[C@@H]1[C@H](O)[C@@H](CO)OC[C@H]1C.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol?
The InChIKey is YQJYLRAPISSQNQ-XUTVFYLZSA-N. The full InChI is InChI=1S/C8H16O4/c1-5-4-12-6(3-9)7(10)8(5)11-2/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8+/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol has a molecular weight of 176.21 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol is sourced from PubChem (CID 58017669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).