(2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol

C10H18O5 — CID 24905943

IUPAC(2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol
SMILESC=CC[C@@H]1O[C@H](C(OC)OC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H18O5/c1-4-5-6-7(11)8(12)9(15-6)10(13-2)14-3/h4,6-12H,1,5H2,2-3H3/t6-,7+,8-,9-/m0/s1
InChIKeyVGXKYNVJBUDWGX-KZVJFYERSA-N
MW218.25 g/mol
LogP-0.33
Rot. Bonds5

About (2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol

(2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol (PubChem CID 24905943) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol
PubChem CID24905943
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol
SMILESC=CC[C@@H]1O[C@H](C(OC)OC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H18O5/c1-4-5-6-7(11)8(12)9(15-6)10(13-2)14-3/h4,6-12H,1,5H2,2-3H3/t6-,7+,8-,9-/m0/s1
InChIKeyVGXKYNVJBUDWGX-KZVJFYERSA-N
XLogP-0.33
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol?
The IUPAC name of (2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol (CID 24905943) is (2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol?
The canonical SMILES for (2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol is C=CC[C@@H]1O[C@H](C(OC)OC)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol?
The InChIKey is VGXKYNVJBUDWGX-KZVJFYERSA-N. The full InChI is InChI=1S/C10H18O5/c1-4-5-6-7(11)8(12)9(15-6)10(13-2)14-3/h4,6-12H,1,5H2,2-3H3/t6-,7+,8-,9-/m0/s1.
What are the key properties of (2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol?
(2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol has a molecular weight of 218.25 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol is sourced from PubChem (CID 24905943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).