(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one

C13H14O6 — CID 70356460

IUPAC(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one
SMILESO=C1O[C@H]([C@H](O)CO)C(O)=C1OCc1ccccc1
InChIInChI=1S/C13H14O6/c14-6-9(15)11-10(16)12(13(17)19-11)18-7-8-4-2-1-3-5-8/h1-5,9,11,14-16H,6-7H2/t9-,11-/m1/s1
InChIKeyPTQLGCKYGNFCEZ-MWLCHTKSSA-N
MW266.25 g/mol
LogP0.25
Rot. Bonds5

About (2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one

(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one (PubChem CID 70356460) has the molecular formula C13H14O6 and a molecular weight of 266.25 g/mol. Its IUPAC name is (2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one
PubChem CID70356460
Molecular FormulaC13H14O6
Molecular Weight266.25 g/mol
Exact Mass266.08
IUPAC Name(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one
SMILESO=C1O[C@H]([C@H](O)CO)C(O)=C1OCc1ccccc1
InChIInChI=1S/C13H14O6/c14-6-9(15)11-10(16)12(13(17)19-11)18-7-8-4-2-1-3-5-8/h1-5,9,11,14-16H,6-7H2/t9-,11-/m1/s1
InChIKeyPTQLGCKYGNFCEZ-MWLCHTKSSA-N
XLogP0.25
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-2-(2-hydroxyethyl)-4-phenylmethoxy-2H-furan-5-one
CID 54723596
(2R)-4-decoxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one
CID 68591726
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one
CID 54740315
2-(1,2-dihydroxyethyl)-3-hydroxy-4-undecoxy-2H-furan-5-one
CID 54726558
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hexoxy-3-hydroxy-2H-furan-5-one
CID 68591424
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-nonadecoxy-2H-furan-5-one
CID 68590112
2-(1-hydroxy-2-methoxyethyl)-3,4-bis(phenylmethoxy)-2H-furan-5-one
CID 142525192
[(2R)-2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 54690328
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate
CID 118281516
bis[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen phosphate
CID 165356355
[2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 130404672
2-(1,2-dihydroxyethyl)-4-(2,3-dimethyl-4-silylbutan-2-yl)oxy-3-phenylmethoxy-2H-furan-5-one
CID 173259006

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one (CID 70356460) is (2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one is O=C1O[C@H]([C@H](O)CO)C(O)=C1OCc1ccccc1.
What is the InChIKey of (2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one?
The InChIKey is PTQLGCKYGNFCEZ-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H14O6/c14-6-9(15)11-10(16)12(13(17)19-11)18-7-8-4-2-1-3-5-8/h1-5,9,11,14-16H,6-7H2/t9-,11-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one?
(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one has a molecular weight of 266.25 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one is sourced from PubChem (CID 70356460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).