methyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate

C13H24O7 — CID 134975263

IUPACmethyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate
SMILESCOCOC[C@](C)(O)[C@H]1CC[C@@](C)([C@H](O)C(=O)OC)O1
InChIInChI=1S/C13H24O7/c1-12(16,7-19-8-17-3)9-5-6-13(2,20-9)10(14)11(15)18-4/h9-10,14,16H,5-8H2,1-4H3/t9-,10-,12+,13+/m1/s1
InChIKeyPRRBILRADWSLGD-AAXDQBDMSA-N
MW292.33 g/mol
LogP-0.17
Rot. Bonds7

About methyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate

methyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate (PubChem CID 134975263) has the molecular formula C13H24O7 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate
PubChem CID134975263
Molecular FormulaC13H24O7
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Namemethyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate
SMILESCOCOC[C@](C)(O)[C@H]1CC[C@@](C)([C@H](O)C(=O)OC)O1
InChIInChI=1S/C13H24O7/c1-12(16,7-19-8-17-3)9-5-6-13(2,20-9)10(14)11(15)18-4/h9-10,14,16H,5-8H2,1-4H3/t9-,10-,12+,13+/m1/s1
InChIKeyPRRBILRADWSLGD-AAXDQBDMSA-N
XLogP-0.17
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate?
The IUPAC name of methyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate (CID 134975263) is methyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate.
What is the SMILES notation for methyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate?
The canonical SMILES for methyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate is COCOC[C@](C)(O)[C@H]1CC[C@@](C)([C@H](O)C(=O)OC)O1.
What is the InChIKey of methyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate?
The InChIKey is PRRBILRADWSLGD-AAXDQBDMSA-N. The full InChI is InChI=1S/C13H24O7/c1-12(16,7-19-8-17-3)9-5-6-13(2,20-9)10(14)11(15)18-4/h9-10,14,16H,5-8H2,1-4H3/t9-,10-,12+,13+/m1/s1.
What are the key properties of methyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate?
methyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate has a molecular weight of 292.33 g/mol, XLogP of -0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-hydroxy-2-[(2S,5R)-5-[(2S)-2-hydroxy-1-(methoxymethoxy)propan-2-yl]-2-methyloxolan-2-yl]acetate is sourced from PubChem (CID 134975263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).