(2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one

C9H15O6P — CID 56590638

IUPAC(2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one
SMILESCC[C@](O)([C@H]1C=CC(=O)O1)P(=O)(OC)OC
InChIInChI=1S/C9H15O6P/c1-4-9(11,16(12,13-2)14-3)7-5-6-8(10)15-7/h5-7,11H,4H2,1-3H3/t7-,9-/m1/s1
InChIKeyYZJTVFQCHRYRAL-VXNVDRBHSA-N
MW250.19 g/mol
LogP1.05
Rot. Bonds5

About (2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one

(2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one (PubChem CID 56590638) has the molecular formula C9H15O6P and a molecular weight of 250.19 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one
PubChem CID56590638
Molecular FormulaC9H15O6P
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name(2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one
SMILESCC[C@](O)([C@H]1C=CC(=O)O1)P(=O)(OC)OC
InChIInChI=1S/C9H15O6P/c1-4-9(11,16(12,13-2)14-3)7-5-6-8(10)15-7/h5-7,11H,4H2,1-3H3/t7-,9-/m1/s1
InChIKeyYZJTVFQCHRYRAL-VXNVDRBHSA-N
XLogP1.05
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 51.05
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

(2R)-2-[(1R)-1-diethoxyphosphoryl-1-hydroxyethyl]-2H-furan-5-one
CID 56590637
2-(4-hydroxyheptan-4-yl)-2H-furan-5-one
CID 102468529
2-[(R)-diethoxyphosphoryl-hydroxy-(2-methylphenyl)methyl]-2H-furan-5-one
CID 102364757
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
(1S)-1-dimethoxyphosphoryl-1-phenylpropan-1-ol
CID 125471750
(2S)-2-(6-hydroxy-6-methyloctyl)-2H-furan-5-one
CID 10799274
(2R)-2-[(2-methylpropan-2-yl)oxymethyl]-2H-furan-5-one
CID 13391762
2-(diethoxymethyl)-2H-furan-5-one
CID 10559449
(2S)-2-hydroxy-2H-furan-5-one
CID 11073352
(2S,3R)-3-hydroxy-2-methyl-2,3-dihydropyran-6-one
CID 10080412
(4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one
CID 10954478

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one (CID 56590638) is (2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one is CC[C@](O)([C@H]1C=CC(=O)O1)P(=O)(OC)OC.
What is the InChIKey of (2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one?
The InChIKey is YZJTVFQCHRYRAL-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H15O6P/c1-4-9(11,16(12,13-2)14-3)7-5-6-8(10)15-7/h5-7,11H,4H2,1-3H3/t7-,9-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one?
(2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one has a molecular weight of 250.19 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-dimethoxyphosphoryl-1-hydroxypropyl]-2H-furan-5-one is sourced from PubChem (CID 56590638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).