methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate

C10H18O5 — CID 102325630

IUPACmethyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1OCC[C@H](O)[C@@H]1[C@H](C)O
InChIInChI=1S/C10H18O5/c1-6(11)10-7(12)3-4-15-8(10)5-9(13)14-2/h6-8,10-12H,3-5H2,1-2H3/t6-,7-,8+,10-/m0/s1
InChIKeyJGNGCNFPIFZDFU-OORONAJNSA-N
MW218.25 g/mol
LogP-0.30
Rot. Bonds3

About methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate

methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate (PubChem CID 102325630) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate
PubChem CID102325630
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namemethyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1OCC[C@H](O)[C@@H]1[C@H](C)O
InChIInChI=1S/C10H18O5/c1-6(11)10-7(12)3-4-15-8(10)5-9(13)14-2/h6-8,10-12H,3-5H2,1-2H3/t6-,7-,8+,10-/m0/s1
InChIKeyJGNGCNFPIFZDFU-OORONAJNSA-N
XLogP-0.30
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate with MolForge

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Related Compounds

(-)-6-Deoxyerythronolide B
CID 121904
Ethyl 4-hydroxycyclohexanecarboxylate
CID 86973
13-Deethyl-6,12-dideoxy-13-methylerythronolide A
CID 193898
trans-Ethyl 2-hydroxycyclohexanecarboxylate
CID 1268212
Methyl 4-hydroxycyclohexanecarboxylate
CID 87117
4-Hydroxy-cyclohexanecarboxylic acid butyl ester
CID 70804341
(4R,5R)-4-hydroxy-5-tetradecyloxan-2-one
CID 44401894
Ethyl 2-hydroxycyclohexane-1-carboxylate
CID 303691
(3S,4S,6R)-3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one
CID 11013671
Orlistat (m3)
CID 14607538
(4R,5S)-4-hydroxy-5-tetradecyloxan-2-one
CID 46229556
Prelactone B
CID 11105821

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate (CID 102325630) is methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate is COC(=O)C[C@H]1OCC[C@H](O)[C@@H]1[C@H](C)O.
What is the InChIKey of methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate?
The InChIKey is JGNGCNFPIFZDFU-OORONAJNSA-N. The full InChI is InChI=1S/C10H18O5/c1-6(11)10-7(12)3-4-15-8(10)5-9(13)14-2/h6-8,10-12H,3-5H2,1-2H3/t6-,7-,8+,10-/m0/s1.
What are the key properties of methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate?
methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate has a molecular weight of 218.25 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate is sourced from PubChem (CID 102325630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).