(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one

C17H20O6 — CID 175429061

IUPAC(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one
SMILESCC1(C)OCC[C@@H]([C@H]2OC(=O)C(O)=C2OCc2ccccc2)O1
InChIInChI=1S/C17H20O6/c1-17(2)21-9-8-12(23-17)14-15(13(18)16(19)22-14)20-10-11-6-4-3-5-7-11/h3-7,12,14,18H,8-10H2,1-2H3/t12-,14+/m0/s1
InChIKeyZPJYODILFUAJHT-GXTWGEPZSA-N
MW320.34 g/mol
LogP2.44
Rot. Bonds4

About (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one

(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one (PubChem CID 175429061) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one
PubChem CID175429061
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one
SMILESCC1(C)OCC[C@@H]([C@H]2OC(=O)C(O)=C2OCc2ccccc2)O1
InChIInChI=1S/C17H20O6/c1-17(2)21-9-8-12(23-17)14-15(13(18)16(19)22-14)20-10-11-6-4-3-5-7-11/h3-7,12,14,18H,8-10H2,1-2H3/t12-,14+/m0/s1
InChIKeyZPJYODILFUAJHT-GXTWGEPZSA-N
XLogP2.44
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one with MolForge

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Related Compounds

Zilascorb (2H)
CID 54679297
5,6-O-benzylidene-L-ascorbic acid
CID 54682464
methyl 3-O-[3-(benzyloxy)-3-oxopropanoyl]-beta-D-galactopyranoside
CID 154573933
benzyl (E)-3-[(2R,3R)-3-hydroxyoxan-2-yl]prop-2-enoate
CID 12192993
3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
CID 9856497
2-o,3-o-Dibenzyl-l-ascorbic acid
CID 22885541
2-(1,2-dihydroxyethyl)-3-hydroxy-4-phenylmethoxy-2H-furan-5-one
CID 54726561
Benzyl 2,3,4,6-Tetra-O-acetyl-beta-D-Glucopyranoside
CID 2728829
Sodium 5,6-benzylideneascorbate
CID 71587369
(2S,4R)-2-(benzyloxymethyl)-2-methyl-1,3-dioxolane-4-carboxylic acid
CID 489505
(2R,4S)-2-(benzyloxymethyl)-2-methyl-1,3-dioxolane-4-carboxylic acid
CID 489506
Tert-butyl 6-(benzyloxymethyl)-3-hydroxy-4-oxo-pyran-2-carboxylate
CID 3010947

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one (CID 175429061) is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one is CC1(C)OCC[C@@H]([C@H]2OC(=O)C(O)=C2OCc2ccccc2)O1.
What is the InChIKey of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one?
The InChIKey is ZPJYODILFUAJHT-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H20O6/c1-17(2)21-9-8-12(23-17)14-15(13(18)16(19)22-14)20-10-11-6-4-3-5-7-11/h3-7,12,14,18H,8-10H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one?
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one has a molecular weight of 320.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-4-hydroxy-3-phenylmethoxy-2H-furan-5-one is sourced from PubChem (CID 175429061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).