(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one

C10H17O6P — CID 56590637

IUPAC(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one
SMILESCCOP(=O)(OCC)[C@@](C)(O)[C@H]1C=CC(=O)O1
InChIInChI=1S/C10H17O6P/c1-4-14-17(13,15-5-2)10(3,12)8-6-7-9(11)16-8/h6-8,12H,4-5H2,1-3H3/t8-,10-/m1/s1
InChIKeyXTWYZQFHMVOMPQ-PSASIEDQSA-N
MW264.21 g/mol
LogP1.44
Rot. Bonds6

About (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one

(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one (PubChem CID 56590637) has the molecular formula C10H17O6P and a molecular weight of 264.21 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one
PubChem CID56590637
Molecular FormulaC10H17O6P
Molecular Weight264.21 g/mol
Exact Mass264.08
IUPAC Name(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one
SMILESCCOP(=O)(OCC)[C@@](C)(O)[C@H]1C=CC(=O)O1
InChIInChI=1S/C10H17O6P/c1-4-14-17(13,15-5-2)10(3,12)8-6-7-9(11)16-8/h6-8,12H,4-5H2,1-3H3/t8-,10-/m1/s1
InChIKeyXTWYZQFHMVOMPQ-PSASIEDQSA-N
XLogP1.44
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one
CID 102364757
(2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one
CID 56590638
2-(4-hydroxyheptan-4-yl)-2H-furan-5-one
CID 102468529
methyl (2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]propanoate
CID 100958241
2-(2-methylnonan-2-yl)-2H-furan-5-one
CID 129257118
3-diethoxyphosphoryl-3-methylbutan-2-one
CID 14267358
2-diethoxyphosphoryl-2-methylpropan-1-amine
CID 58928684
2-(diethoxymethyl)-2H-furan-5-one
CID 10559449
2-(tert-butylamino)-2H-furan-5-one
CID 18520736
(2S)-2-(6-hydroxy-6-methyloctyl)-2H-furan-5-one
CID 10799274
3-chloro-2-diethoxyphosphorylbutan-2-ol
CID 12591813
2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
CID 12012614

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one (CID 56590637) is (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one is CCOP(=O)(OCC)[C@@](C)(O)[C@H]1C=CC(=O)O1.
What is the InChIKey of (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one?
The InChIKey is XTWYZQFHMVOMPQ-PSASIEDQSA-N. The full InChI is InChI=1S/C10H17O6P/c1-4-14-17(13,15-5-2)10(3,12)8-6-7-9(11)16-8/h6-8,12H,4-5H2,1-3H3/t8-,10-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one?
(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one has a molecular weight of 264.21 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one is sourced from PubChem (CID 56590637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).