(2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol

C9H16O4 — CID 100946621

IUPAC(2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol
SMILESOC[C@@H]1O[C@H]1C[C@H]1OCCC[C@H]1O
InChIInChI=1S/C9H16O4/c10-5-9-8(13-9)4-7-6(11)2-1-3-12-7/h6-11H,1-5H2/t6-,7-,8+,9+/m1/s1
InChIKeyXFWZUQRMSAKCPW-HXFLIBJXSA-N
MW188.22 g/mol
LogP-0.32
Rot. Bonds3

About (2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol

(2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol (PubChem CID 100946621) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is (2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol
PubChem CID100946621
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name(2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol
SMILESOC[C@@H]1O[C@H]1C[C@H]1OCCC[C@H]1O
InChIInChI=1S/C9H16O4/c10-5-9-8(13-9)4-7-6(11)2-1-3-12-7/h6-11H,1-5H2/t6-,7-,8+,9+/m1/s1
InChIKeyXFWZUQRMSAKCPW-HXFLIBJXSA-N
XLogP-0.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
CID 21120394
(4aS,6R,7S,9aR)-6-(hydroxymethyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-ol
CID 10965574
(2S,3R)-2-ethyloxan-3-ol
CID 101188955
(2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol
CID 102426988
2-(hydroxymethyl)oxolan-3-ol;methanethiol
CID 172622049
(2S,3R)-2-prop-2-enyloxan-3-ol
CID 14917728
(Z,4R)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol
CID 135029005
2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol
CID 176704836
(3S)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 153374722
(2S,3S,4R)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 89257792
2-(hydroxymethyl)oxane-3,4-diol;methanol
CID 144507531
[2-(hydroxymethyl)oxan-3-yl] acetate
CID 164943022

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol?
The IUPAC name of (2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol (CID 100946621) is (2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol.
What is the SMILES notation for (2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol?
The canonical SMILES for (2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol is OC[C@@H]1O[C@H]1C[C@H]1OCCC[C@H]1O.
What is the InChIKey of (2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol?
The InChIKey is XFWZUQRMSAKCPW-HXFLIBJXSA-N. The full InChI is InChI=1S/C9H16O4/c10-5-9-8(13-9)4-7-6(11)2-1-3-12-7/h6-11H,1-5H2/t6-,7-,8+,9+/m1/s1.
What are the key properties of (2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol?
(2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol has a molecular weight of 188.22 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol is sourced from PubChem (CID 100946621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).