methyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate

C10H18O7 — CID 46189516

IUPACmethyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C[C@H](O)[C@@H](O)[C@H](C(O)CO)O1
InChIInChI=1S/C10H18O7/c1-16-8(14)3-5-2-6(12)9(15)10(17-5)7(13)4-11/h5-7,9-13,15H,2-4H2,1H3/t5-,6-,7?,9+,10-/m0/s1
InChIKeyIEXSZFBCHCSXFK-LZYRWJKVSA-N
MW250.25 g/mol
LogP-2.22
Rot. Bonds4

About methyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate

methyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate (PubChem CID 46189516) has the molecular formula C10H18O7 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate
PubChem CID46189516
Molecular FormulaC10H18O7
Molecular Weight250.25 g/mol
Exact Mass250.11
IUPAC Namemethyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C[C@H](O)[C@@H](O)[C@H](C(O)CO)O1
InChIInChI=1S/C10H18O7/c1-16-8(14)3-5-2-6(12)9(15)10(17-5)7(13)4-11/h5-7,9-13,15H,2-4H2,1H3/t5-,6-,7?,9+,10-/m0/s1
InChIKeyIEXSZFBCHCSXFK-LZYRWJKVSA-N
XLogP-2.22
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate (CID 46189516) is methyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate is COC(=O)C[C@@H]1C[C@H](O)[C@@H](O)[C@H](C(O)CO)O1.
What is the InChIKey of methyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate?
The InChIKey is IEXSZFBCHCSXFK-LZYRWJKVSA-N. The full InChI is InChI=1S/C10H18O7/c1-16-8(14)3-5-2-6(12)9(15)10(17-5)7(13)4-11/h5-7,9-13,15H,2-4H2,1H3/t5-,6-,7?,9+,10-/m0/s1.
What are the key properties of methyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate?
methyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate has a molecular weight of 250.25 g/mol, XLogP of -2.22, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,4S,5R,6S)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetate is sourced from PubChem (CID 46189516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).