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

C14H24O7 — CID 91304677

IUPACmethyl (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)C[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H24O7/c1-13(2)18-7-10(20-13)11-9(19-14(3,4)21-11)6-8(15)12(16)17-5/h8-11,15H,6-7H2,1-5H3/t8-,9-,10-,11+/m1/s1
InChIKeyYQZRDGCWYDLKAL-DBIOUOCHSA-N
MW304.34 g/mol
LogP0.58
Rot. Bonds4

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

methyl (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoate (PubChem CID 91304677) has the molecular formula C14H24O7 and a molecular weight of 304.34 g/mol. Its IUPAC name is methyl (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoate
PubChem CID91304677
Molecular FormulaC14H24O7
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Namemethyl (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)C[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H24O7/c1-13(2)18-7-10(20-13)11-9(19-14(3,4)21-11)6-8(15)12(16)17-5/h8-11,15H,6-7H2,1-5H3/t8-,9-,10-,11+/m1/s1
InChIKeyYQZRDGCWYDLKAL-DBIOUOCHSA-N
XLogP0.58
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoate?
The IUPAC name of methyl (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoate (CID 91304677) is methyl (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoate?
The canonical SMILES for methyl (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoate is COC(=O)[C@H](O)C[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of methyl (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoate?
The InChIKey is YQZRDGCWYDLKAL-DBIOUOCHSA-N. The full InChI is InChI=1S/C14H24O7/c1-13(2)18-7-10(20-13)11-9(19-14(3,4)21-11)6-8(15)12(16)17-5/h8-11,15H,6-7H2,1-5H3/t8-,9-,10-,11+/m1/s1.
What are the key properties of methyl (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoate?
methyl (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoate has a molecular weight of 304.34 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoate is sourced from PubChem (CID 91304677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).