(3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol

C8H14O5 — CID 131720023

IUPAC(3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol
SMILESC=CCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-2-3-8(12)7(11)6(10)5(9)4-13-8/h2,5-7,9-12H,1,3-4H2/t5-,6+,7-,8?/m1/s1
InChIKeyYEOUULPKBYCLOM-MOMMNUENSA-N
MW190.19 g/mol
LogP-1.64
Rot. Bonds2

About (3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol

(3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol (PubChem CID 131720023) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol
PubChem CID131720023
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol
SMILESC=CCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-2-3-8(12)7(11)6(10)5(9)4-13-8/h2,5-7,9-12H,1,3-4H2/t5-,6+,7-,8?/m1/s1
InChIKeyYEOUULPKBYCLOM-MOMMNUENSA-N
XLogP-1.64
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
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 (3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol (CID 131720023) is (3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol is C=CCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol?
The InChIKey is YEOUULPKBYCLOM-MOMMNUENSA-N. The full InChI is InChI=1S/C8H14O5/c1-2-3-8(12)7(11)6(10)5(9)4-13-8/h2,5-7,9-12H,1,3-4H2/t5-,6+,7-,8?/m1/s1.
What are the key properties of (3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol?
(3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol has a molecular weight of 190.19 g/mol, XLogP of -1.64, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-prop-2-enyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 131720023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).