(2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one

C19H22O5 — CID 101052051

IUPAC(2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H](C[C@@H]2C[C@@H](O)[C@@H](O)[C@@H](/C=C/c3ccccc3)O2)O1
InChIInChI=1S/C19H22O5/c20-16-12-15(11-14-7-4-8-18(21)24-14)23-17(19(16)22)10-9-13-5-2-1-3-6-13/h1-6,8-10,14-17,19-20,22H,7,11-12H2/b10-9+/t14-,15-,16-,17-,19-/m1/s1
InChIKeyJKIRIPQYXPLBKK-HYGWSYKWSA-N
MW330.38 g/mol
LogP1.84
Rot. Bonds4

About (2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one

(2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one (PubChem CID 101052051) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one
PubChem CID101052051
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H](C[C@@H]2C[C@@H](O)[C@@H](O)[C@@H](/C=C/c3ccccc3)O2)O1
InChIInChI=1S/C19H22O5/c20-16-12-15(11-14-7-4-8-18(21)24-14)23-17(19(16)22)10-9-13-5-2-1-3-6-13/h1-6,8-10,14-17,19-20,22H,7,11-12H2/b10-9+/t14-,15-,16-,17-,19-/m1/s1
InChIKeyJKIRIPQYXPLBKK-HYGWSYKWSA-N
XLogP1.84
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one
CID 138968854
(2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 6440856
(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 11229405
2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one
CID 167994204
(2R)-2-[(E,2R,4S)-2,4-dihydroxy-6-phenylhex-5-enyl]-2,3-dihydropyran-6-one
CID 101052038
[(E,2S)-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-4-phenylbut-3-en-2-yl] acetate
CID 11808267
[(2R,4S,6S)-2-[[(2R,3R)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-[(E)-2-phenylethenyl]oxan-4-yl] acetate
CID 138967265
(4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
CID 10465961
(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol
CID 139734184
2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one
CID 74817578
2-(4-hydroxy-6-oxo-8-phenylocta-1,7-dienyl)-2,3-dihydropyran-6-one
CID 162880407
(1R,5S,13S,15S)-9-hydroxy-15-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-5-phenyl-13-[(E)-2-phenylethenyl]-4,12,14-trioxatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),9-trien-7-one
CID 166626251

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one (CID 101052051) is (2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one is O=C1C=CC[C@H](C[C@@H]2C[C@@H](O)[C@@H](O)[C@@H](/C=C/c3ccccc3)O2)O1.
What is the InChIKey of (2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one?
The InChIKey is JKIRIPQYXPLBKK-HYGWSYKWSA-N. The full InChI is InChI=1S/C19H22O5/c20-16-12-15(11-14-7-4-8-18(21)24-14)23-17(19(16)22)10-9-13-5-2-1-3-6-13/h1-6,8-10,14-17,19-20,22H,7,11-12H2/b10-9+/t14-,15-,16-,17-,19-/m1/s1.
What are the key properties of (2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one?
(2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one has a molecular weight of 330.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 101052051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).