(2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one

C24H29NO5Se — CID 59910084

IUPAC(2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one
SMILESCC(C)[C@H]1COC(=[Se])N1C(=O)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C24H29NO5Se/c1-17(2)20-15-30-24(31)25(20)23(27)22(29-14-19-11-7-4-8-12-19)21(26)16-28-13-18-9-5-3-6-10-18/h3-12,17,20-22,26H,13-16H2,1-2H3/t20-,21-,22-/m1/s1
InChIKeyQKRBKZQCVGKBRD-YPAWHYETSA-N
MW490.46 g/mol
LogP2.29
Rot. Bonds10

About (2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one

(2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one (PubChem CID 59910084) has the molecular formula C24H29NO5Se and a molecular weight of 490.46 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one
PubChem CID59910084
Molecular FormulaC24H29NO5Se
Molecular Weight490.46 g/mol
Exact Mass491.12
IUPAC Name(2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one
SMILESCC(C)[C@H]1COC(=[Se])N1C(=O)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C24H29NO5Se/c1-17(2)20-15-30-24(31)25(20)23(27)22(29-14-19-11-7-4-8-12-19)21(26)16-28-13-18-9-5-3-6-10-18/h3-12,17,20-22,26H,13-16H2,1-2H3/t20-,21-,22-/m1/s1
InChIKeyQKRBKZQCVGKBRD-YPAWHYETSA-N
XLogP2.29
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one
CID 10851542
methyl (4R,5R)-5-[benzyl-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11048768
(2S)-2-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enyl-1,3-oxazolidin-5-yl]-2-phenylmethoxyacetic acid
CID 11327197
(4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11478575
(2S,3R)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-oxazolidin-3-yl]-3-hydroxy-2-[(2R)-4-methyl-1-phenylmethoxypent-4-en-2-yl]oxyhept-6-en-1-one
CID 11504613
(3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione
CID 14503836
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-5-phenyl-2-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one
CID 44478257
(2R,3R)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-oxazolidin-3-yl]-3-hydroxy-2-phenylmethoxyhexan-1-one
CID 46910421
3-Hydroxy-1-morpholin-4-yl-4-phenylmethoxybutan-1-one
CID 85825766
(E,2R,3S)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]hex-4-en-1-one
CID 101070992
(2R,3R)-3-hydroxy-2-methyl-1-[(4S,5R)-4-methyl-5-phenyl-2-selanylidene-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one
CID 101070993
(4R)-3-[(2R,3R)-3-hydroxy-2,4-dimethyl-2-phenylmethoxypentanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 101205515

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one?
The IUPAC name of (2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one (CID 59910084) is (2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one.
What is the SMILES notation for (2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one?
The canonical SMILES for (2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one is CC(C)[C@H]1COC(=[Se])N1C(=O)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one?
The InChIKey is QKRBKZQCVGKBRD-YPAWHYETSA-N. The full InChI is InChI=1S/C24H29NO5Se/c1-17(2)20-15-30-24(31)25(20)23(27)22(29-14-19-11-7-4-8-12-19)21(26)16-28-13-18-9-5-3-6-10-18/h3-12,17,20-22,26H,13-16H2,1-2H3/t20-,21-,22-/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one?
(2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one has a molecular weight of 490.46 g/mol, XLogP of 2.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one is sourced from PubChem (CID 59910084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).