(3R,5R)-oxane-3,4,5-triol

C5H10O4 — CID 18602743

IUPAC(3R,5R)-oxane-3,4,5-triol
SMILESOC1[C@H](O)COC[C@H]1O
InChIInChI=1S/C5H10O4/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2/t3-,4-/m1/s1
InChIKeyQXAMTEJJAZOINB-QWWZWVQMSA-N
MW134.13 g/mol
LogP-1.90
Rot. Bonds

About (3R,5R)-oxane-3,4,5-triol

(3R,5R)-oxane-3,4,5-triol (PubChem CID 18602743) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is (3R,5R)-oxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,5R)-oxane-3,4,5-triol
PubChem CID18602743
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name(3R,5R)-oxane-3,4,5-triol
SMILESOC1[C@H](O)COC[C@H]1O
InChIInChI=1S/C5H10O4/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2/t3-,4-/m1/s1
InChIKeyQXAMTEJJAZOINB-QWWZWVQMSA-N
XLogP-1.90
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-oxane-3,4,5-triol?
The IUPAC name of (3R,5R)-oxane-3,4,5-triol (CID 18602743) is (3R,5R)-oxane-3,4,5-triol.
What is the SMILES notation for (3R,5R)-oxane-3,4,5-triol?
The canonical SMILES for (3R,5R)-oxane-3,4,5-triol is OC1[C@H](O)COC[C@H]1O.
What is the InChIKey of (3R,5R)-oxane-3,4,5-triol?
The InChIKey is QXAMTEJJAZOINB-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H10O4/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2/t3-,4-/m1/s1.
What are the key properties of (3R,5R)-oxane-3,4,5-triol?
(3R,5R)-oxane-3,4,5-triol has a molecular weight of 134.13 g/mol, XLogP of -1.90, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-oxane-3,4,5-triol is sourced from PubChem (CID 18602743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).