methyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate

C6H10O6 — CID 15664036

IUPACmethyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate
SMILESCOC(=O)[C@H](O)[C@H](O)OC(C)=O
InChIInChI=1S/C6H10O6/c1-3(7)12-6(10)4(8)5(9)11-2/h4,6,8,10H,1-2H3/t4-,6+/m0/s1
InChIKeyNKWKCHXHXQZAJI-UJURSFKZSA-N
MW178.14 g/mol
LogP-1.60
Rot. Bonds3

About methyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate

methyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate (PubChem CID 15664036) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is methyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate
PubChem CID15664036
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Namemethyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate
SMILESCOC(=O)[C@H](O)[C@H](O)OC(C)=O
InChIInChI=1S/C6H10O6/c1-3(7)12-6(10)4(8)5(9)11-2/h4,6,8,10H,1-2H3/t4-,6+/m0/s1
InChIKeyNKWKCHXHXQZAJI-UJURSFKZSA-N
XLogP-1.60
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-acetyloxy-3-hydroxybutanedioate
CID 538425
dimethyl (2S)-2-amino-3-hydroxybutanedioate
CID 11030367
methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate
CID 135210741
methyl (2S)-3,3-difluoro-2-hydroxypropanoate
CID 178200832
methyl (2R,3S)-2-[(1R)-1-acetyloxyethyl]-3-hydroxybutanoate
CID 10241996
bismuthane;methyl acetate
CID 174537209
(2R,3R)-2,3-diacetyloxy-4-methoxy-4-oxobutanoic acid
CID 2007459
methyl 2-acetyloxy-3-oxopropanoate
CID 14149598
methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate
CID 134904639
dimethyl (2R,3R)-2-bromo-3-hydroxybutanedioate
CID 45116933
methyl 3-amino-2-hydroxybutanoate;hydrochloride
CID 135262653
(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid
CID 11008248

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate?
The IUPAC name of methyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate (CID 15664036) is methyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate?
The canonical SMILES for methyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate is COC(=O)[C@H](O)[C@H](O)OC(C)=O.
What is the InChIKey of methyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate?
The InChIKey is NKWKCHXHXQZAJI-UJURSFKZSA-N. The full InChI is InChI=1S/C6H10O6/c1-3(7)12-6(10)4(8)5(9)11-2/h4,6,8,10H,1-2H3/t4-,6+/m0/s1.
What are the key properties of methyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate?
methyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate has a molecular weight of 178.14 g/mol, XLogP of -1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate is sourced from PubChem (CID 15664036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).