methyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate

C12H18O9 — CID 59899532

IUPACmethyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate
SMILESCOC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(O)COC(C)=O
InChIInChI=1S/C12H18O9/c1-6(13)19-5-9(16)10(20-7(2)14)11(12(17)18-4)21-8(3)15/h9-11,16H,5H2,1-4H3/t9?,10-,11-/m1/s1
InChIKeyPJUWCUQKLVTTTA-FHZGLPGMSA-N
MW306.27 g/mol
LogP-1.05
Rot. Bonds7

About methyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate

methyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate (PubChem CID 59899532) has the molecular formula C12H18O9 and a molecular weight of 306.27 g/mol. Its IUPAC name is methyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate
PubChem CID59899532
Molecular FormulaC12H18O9
Molecular Weight306.27 g/mol
Exact Mass306.10
IUPAC Namemethyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate
SMILESCOC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(O)COC(C)=O
InChIInChI=1S/C12H18O9/c1-6(13)19-5-9(16)10(20-7(2)14)11(12(17)18-4)21-8(3)15/h9-11,16H,5H2,1-4H3/t9?,10-,11-/m1/s1
InChIKeyPJUWCUQKLVTTTA-FHZGLPGMSA-N
XLogP-1.05
TPSA125.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4,5,6-tetraacetyloxy-2-hydroxyhexyl) acetate
CID 123857051
[(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate
CID 102116227
[(2R,3S,4R)-3-acetyloxy-2,4-dihydroxy-6-oxohexyl] acetate
CID 86654838
dimethyl 2-acetyloxy-3-hydroxybutanedioate
CID 538425
methyl (2R,3R)-2,3,5-triacetyloxy-4-oxopentanoate
CID 59899531
[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate
CID 102116245
methyl 2-(2,3,5-triacetyloxy-1,4-dihydroxypentyl)-1,3-thiazolidine-4-carboxylate
CID 90360473
(2R,3R)-2,3-diacetyloxy-4-methoxy-4-oxobutanoic acid
CID 2007459
[(2R,3R,4R)-2,3,4-triacetyloxy-5-amino-5-oxopentyl] acetate
CID 2729263
[(2R,3S)-3-acetyloxy-2-hydroxy-5,6-dioxoheptyl] acetate
CID 87414854
[(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxo-6-[2-[2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentaacetyloxyhexanoyl]amino]ethylamino]ethylamino]hexyl] acetate
CID 101074456
propan-1-ol;[(2R,3R,4S,5R)-3,4,5-triacetyloxy-2-hydroxy-6-oxohexyl] acetate
CID 87759927

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate?
The IUPAC name of methyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate (CID 59899532) is methyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate.
What is the SMILES notation for methyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate?
The canonical SMILES for methyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate is COC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(O)COC(C)=O.
What is the InChIKey of methyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate?
The InChIKey is PJUWCUQKLVTTTA-FHZGLPGMSA-N. The full InChI is InChI=1S/C12H18O9/c1-6(13)19-5-9(16)10(20-7(2)14)11(12(17)18-4)21-8(3)15/h9-11,16H,5H2,1-4H3/t9?,10-,11-/m1/s1.
What are the key properties of methyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate?
methyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate has a molecular weight of 306.27 g/mol, XLogP of -1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate is sourced from PubChem (CID 59899532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).