(2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol

C8H14O5 — CID 67633696

IUPAC(2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol
SMILESC=CCO[C@@H]1[C@@H](O)[C@H](O)CO[C@@H]1O
InChIInChI=1S/C8H14O5/c1-2-3-12-7-6(10)5(9)4-13-8(7)11/h2,5-11H,1,3-4H2/t5-,6+,7-,8+/m1/s1
InChIKeyPLTVRDZJOBBWQK-CWKFCGSDSA-N
MW190.19 g/mol
LogP-1.37
Rot. Bonds3

About (2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol

(2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol (PubChem CID 67633696) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol
PubChem CID67633696
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol
SMILESC=CCO[C@@H]1[C@@H](O)[C@H](O)CO[C@@H]1O
InChIInChI=1S/C8H14O5/c1-2-3-12-7-6(10)5(9)4-13-8(7)11/h2,5-11H,1,3-4H2/t5-,6+,7-,8+/m1/s1
InChIKeyPLTVRDZJOBBWQK-CWKFCGSDSA-N
XLogP-1.37
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol (CID 67633696) is (2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol is C=CCO[C@@H]1[C@@H](O)[C@H](O)CO[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol?
The InChIKey is PLTVRDZJOBBWQK-CWKFCGSDSA-N. The full InChI is InChI=1S/C8H14O5/c1-2-3-12-7-6(10)5(9)4-13-8(7)11/h2,5-11H,1,3-4H2/t5-,6+,7-,8+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol?
(2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol has a molecular weight of 190.19 g/mol, XLogP of -1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-3-prop-2-enoxyoxane-2,4,5-triol is sourced from PubChem (CID 67633696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).