(2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one

C19H24O6 — CID 127030351

IUPAC(2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one
SMILESO=C1C=C[C@H](O)[C@H](C[C@H](O)C[C@@H](O)C[C@H](O)/C=C/c2ccccc2)O1
InChIInChI=1S/C19H24O6/c20-14(7-6-13-4-2-1-3-5-13)10-15(21)11-16(22)12-18-17(23)8-9-19(24)25-18/h1-9,14-18,20-23H,10-12H2/b7-6+/t14-,15+,16-,17+,18+/m1/s1
InChIKeyJYRNWDFSBDZJDV-HSMJIBECSA-N
MW348.40 g/mol
LogP0.80
Rot. Bonds8

About (2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one

(2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one (PubChem CID 127030351) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one
PubChem CID127030351
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Name(2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one
SMILESO=C1C=C[C@H](O)[C@H](C[C@H](O)C[C@@H](O)C[C@H](O)/C=C/c2ccccc2)O1
InChIInChI=1S/C19H24O6/c20-14(7-6-13-4-2-1-3-5-13)10-15(21)11-16(22)12-18-17(23)8-9-19(24)25-18/h1-9,14-18,20-23H,10-12H2/b7-6+/t14-,15+,16-,17+,18+/m1/s1
InChIKeyJYRNWDFSBDZJDV-HSMJIBECSA-N
XLogP0.80
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one (CID 127030351) is (2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one is O=C1C=C[C@H](O)[C@H](C[C@H](O)C[C@@H](O)C[C@H](O)/C=C/c2ccccc2)O1.
What is the InChIKey of (2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one?
The InChIKey is JYRNWDFSBDZJDV-HSMJIBECSA-N. The full InChI is InChI=1S/C19H24O6/c20-14(7-6-13-4-2-1-3-5-13)10-15(21)11-16(22)12-18-17(23)8-9-19(24)25-18/h1-9,14-18,20-23H,10-12H2/b7-6+/t14-,15+,16-,17+,18+/m1/s1.
What are the key properties of (2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one?
(2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one has a molecular weight of 348.40 g/mol, XLogP of 0.80, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 127030351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).