(2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid

C13H22O7 — CID 67647297

IUPAC(2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid
SMILESCC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@@](C)(O)C(=O)O)O1
InChIInChI=1S/C13H22O7/c1-11(2)17-6-7(18-11)8-9(13(5,16)10(14)15)20-12(3,4)19-8/h7-9,16H,6H2,1-5H3,(H,14,15)/t7-,8-,9+,13-/m1/s1
InChIKeyKGIXQZVTEQKLJS-RVBSWOSCSA-N
MW290.31 g/mol
LogP0.49
Rot. Bonds3

About (2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid

(2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid (PubChem CID 67647297) has the molecular formula C13H22O7 and a molecular weight of 290.31 g/mol. Its IUPAC name is (2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid
PubChem CID67647297
Molecular FormulaC13H22O7
Molecular Weight290.31 g/mol
Exact Mass290.14
IUPAC Name(2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid
SMILESCC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@@](C)(O)C(=O)O)O1
InChIInChI=1S/C13H22O7/c1-11(2)17-6-7(18-11)8-9(13(5,16)10(14)15)20-12(3,4)19-8/h7-9,16H,6H2,1-5H3,(H,14,15)/t7-,8-,9+,13-/m1/s1
InChIKeyKGIXQZVTEQKLJS-RVBSWOSCSA-N
XLogP0.49
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid (CID 67647297) is (2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid is CC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@@](C)(O)C(=O)O)O1.
What is the InChIKey of (2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid?
The InChIKey is KGIXQZVTEQKLJS-RVBSWOSCSA-N. The full InChI is InChI=1S/C13H22O7/c1-11(2)17-6-7(18-11)8-9(13(5,16)10(14)15)20-12(3,4)19-8/h7-9,16H,6H2,1-5H3,(H,14,15)/t7-,8-,9+,13-/m1/s1.
What are the key properties of (2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid?
(2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid has a molecular weight of 290.31 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoic acid is sourced from PubChem (CID 67647297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).