ethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate

C9H16O5 — CID 24873844

IUPACethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate
SMILESCCOC(=O)[C@H](O)[C@H]1CC[C@H](CO)O1
InChIInChI=1S/C9H16O5/c1-2-13-9(12)8(11)7-4-3-6(5-10)14-7/h6-8,10-11H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChIKeyYZDVQNPXBMRZLZ-BWZBUEFSSA-N
MW204.22 g/mol
LogP-0.55
Rot. Bonds4

About ethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate

ethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate (PubChem CID 24873844) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate
PubChem CID24873844
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Nameethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate
SMILESCCOC(=O)[C@H](O)[C@H]1CC[C@H](CO)O1
InChIInChI=1S/C9H16O5/c1-2-13-9(12)8(11)7-4-3-6(5-10)14-7/h6-8,10-11H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChIKeyYZDVQNPXBMRZLZ-BWZBUEFSSA-N
XLogP-0.55
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Sorbitan monooctadecanoate
CID 16218600
Sorbitan monododecanoate
CID 11046239
Span 40
CID 16212480
Glyceryl Heptanoate
CID 21924355
D-Glucoheptono-1,4-lactone
CID 108880
Sorbitan monocaprylate
CID 90474014
[2-(3,4-Dihydroxyoxolan-2-yl)-2-hydroxyethyl] dodecanoate
CID 347468
3,6-Anhydro-1-O-octadecanoylhexitol
CID 3793749
3,6-Anhydro-1-O-hexadecanoylhexitol
CID 4122814
3,4-Dihydroxy-5-(1,2,3-trihydroxypropyl)oxolan-2-one
CID 78942
3,4-Dihydroxy-5-(1,2,3,4-tetrahydroxybutyl)oxolan-2-one
CID 219893
Mannitan monolaurate
CID 14080301

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate?
The IUPAC name of ethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate (CID 24873844) is ethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate?
The canonical SMILES for ethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate is CCOC(=O)[C@H](O)[C@H]1CC[C@H](CO)O1.
What is the InChIKey of ethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate?
The InChIKey is YZDVQNPXBMRZLZ-BWZBUEFSSA-N. The full InChI is InChI=1S/C9H16O5/c1-2-13-9(12)8(11)7-4-3-6(5-10)14-7/h6-8,10-11H,2-5H2,1H3/t6-,7-,8-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate?
ethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate has a molecular weight of 204.22 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate is sourced from PubChem (CID 24873844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).