ethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate

C17H30O7 — CID 10871700

IUPACethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate
SMILESCCOC(=O)[C@H](O)[C@]1(C)CC[C@H]([C@@]2(C)CCC(O)(C(C)(C)O)O2)O1
InChIInChI=1S/C17H30O7/c1-6-22-13(19)12(18)16(5)8-7-11(23-16)15(4)9-10-17(21,24-15)14(2,3)20/h11-12,18,20-21H,6-10H2,1-5H3/t11-,12+,15-,16+,17?/m1/s1
InChIKeyARRCVCGCPOPHPZ-ANVOZQLFSA-N
MW346.42 g/mol
LogP0.88
Rot. Bonds5

About ethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate

ethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate (PubChem CID 10871700) has the molecular formula C17H30O7 and a molecular weight of 346.42 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate
PubChem CID10871700
Molecular FormulaC17H30O7
Molecular Weight346.42 g/mol
Exact Mass346.20
IUPAC Nameethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate
SMILESCCOC(=O)[C@H](O)[C@]1(C)CC[C@H]([C@@]2(C)CCC(O)(C(C)(C)O)O2)O1
InChIInChI=1S/C17H30O7/c1-6-22-13(19)12(18)16(5)8-7-11(23-16)15(4)9-10-17(21,24-15)14(2,3)20/h11-12,18,20-21H,6-10H2,1-5H3/t11-,12+,15-,16+,17?/m1/s1
InChIKeyARRCVCGCPOPHPZ-ANVOZQLFSA-N
XLogP0.88
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate?
The IUPAC name of ethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate (CID 10871700) is ethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate?
The canonical SMILES for ethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate is CCOC(=O)[C@H](O)[C@]1(C)CC[C@H]([C@@]2(C)CCC(O)(C(C)(C)O)O2)O1.
What is the InChIKey of ethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate?
The InChIKey is ARRCVCGCPOPHPZ-ANVOZQLFSA-N. The full InChI is InChI=1S/C17H30O7/c1-6-22-13(19)12(18)16(5)8-7-11(23-16)15(4)9-10-17(21,24-15)14(2,3)20/h11-12,18,20-21H,6-10H2,1-5H3/t11-,12+,15-,16+,17?/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate?
ethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate has a molecular weight of 346.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-2-[(2S,5R)-5-[(2R)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]acetate is sourced from PubChem (CID 10871700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).