(5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one

C15H24O6 — CID 54153771

IUPAC(5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one
SMILESC=CCO[C@@](CC=C)(C(=O)C=CC)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C15H24O6/c1-4-7-12(18)15(8-5-2,21-9-6-3)14(20)13(19)11(17)10-16/h4-7,11,13-14,16-17,19-20H,2-3,8-10H2,1H3/t11-,13-,14+,15+/m1/s1
InChIKeyOJPFWLANYIHVPG-RZFFKMDDSA-N
MW300.35 g/mol
LogP-0.28
Rot. Bonds11

About (5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one

(5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one (PubChem CID 54153771) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is (5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one.

Molecular Properties

Compound Name(5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one
PubChem CID54153771
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name(5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one
SMILESC=CCO[C@@](CC=C)(C(=O)C=CC)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C15H24O6/c1-4-7-12(18)15(8-5-2,21-9-6-3)14(20)13(19)11(17)10-16/h4-7,11,13-14,16-17,19-20H,2-3,8-10H2,1H3/t11-,13-,14+,15+/m1/s1
InChIKeyOJPFWLANYIHVPG-RZFFKMDDSA-N
XLogP-0.28
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one?
The IUPAC name of (5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one (CID 54153771) is (5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one.
What is the SMILES notation for (5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one?
The canonical SMILES for (5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one is C=CCO[C@@](CC=C)(C(=O)C=CC)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one?
The InChIKey is OJPFWLANYIHVPG-RZFFKMDDSA-N. The full InChI is InChI=1S/C15H24O6/c1-4-7-12(18)15(8-5-2,21-9-6-3)14(20)13(19)11(17)10-16/h4-7,11,13-14,16-17,19-20H,2-3,8-10H2,1H3/t11-,13-,14+,15+/m1/s1.
What are the key properties of (5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one?
(5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one has a molecular weight of 300.35 g/mol, XLogP of -0.28, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,7R,8R)-6,7,8,9-tetrahydroxy-5-prop-2-enoxy-5-prop-2-enylnon-2-en-4-one is sourced from PubChem (CID 54153771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).