dimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate

C10H14O8 — CID 25132626

IUPACdimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate
SMILESCOC(=O)[C@@H]1OC[C@@H](OC(C)=O)O[C@H]1C(=O)OC
InChIInChI=1S/C10H14O8/c1-5(11)17-6-4-16-7(9(12)14-2)8(18-6)10(13)15-3/h6-8H,4H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyDWIOYEHECROSSD-XLPZGREQSA-N
MW262.21 g/mol
LogP-0.99
Rot. Bonds3

About dimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate

dimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate (PubChem CID 25132626) has the molecular formula C10H14O8 and a molecular weight of 262.21 g/mol. Its IUPAC name is dimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate
PubChem CID25132626
Molecular FormulaC10H14O8
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Namedimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate
SMILESCOC(=O)[C@@H]1OC[C@@H](OC(C)=O)O[C@H]1C(=O)OC
InChIInChI=1S/C10H14O8/c1-5(11)17-6-4-16-7(9(12)14-2)8(18-6)10(13)15-3/h6-8H,4H2,1-3H3/t6-,7+,8+/m0/s1
InChIKeyDWIOYEHECROSSD-XLPZGREQSA-N
XLogP-0.99
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

methyl (2R,3S,4S,5R)-3,4,5-triacetyloxyoxane-2-carboxylate
CID 100924415
methyl (2S,5S)-3,4,5-triacetyloxyoxolane-2-carboxylate
CID 131700717
methyl 3,4,5-triacetyloxy-6-hydroxyoxane-2-carboxylate
CID 14077890
methyl (2S,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-hydroxyoxane-2-carboxylate
CID 26470996
methyl (2S)-3,4,5-triacetyloxy-6-bromooxane-2-carboxylate
CID 129175447
CID 174083964
CID 174083964
[(2S)-4-acetyloxy-1,3-dioxolan-2-yl]methyl acetate
CID 118903241
methyl 3,4-diacetyloxy-5,6-dimethoxyoxane-2-carboxylate
CID 537948
methyl (2R,3S,4S,5R)-3,4,5-trihydroxyoxane-2-carboxylate
CID 100924414
methyl (4S)-5-acetyloxy-6-hydroxy-3,4-dimethyloxane-2-carboxylate
CID 170206334
dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate
CID 130308368
methyl (2S,3S,4S,5R)-5-acetyloxy-6-bromo-3,4-dimethyloxane-2-carboxylate
CID 167624729

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate?
The IUPAC name of dimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate (CID 25132626) is dimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate.
What is the SMILES notation for dimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate?
The canonical SMILES for dimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate is COC(=O)[C@@H]1OC[C@@H](OC(C)=O)O[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate?
The InChIKey is DWIOYEHECROSSD-XLPZGREQSA-N. The full InChI is InChI=1S/C10H14O8/c1-5(11)17-6-4-16-7(9(12)14-2)8(18-6)10(13)15-3/h6-8H,4H2,1-3H3/t6-,7+,8+/m0/s1.
What are the key properties of dimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate?
dimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate has a molecular weight of 262.21 g/mol, XLogP of -0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R,5R)-5-acetyloxy-1,4-dioxane-2,3-dicarboxylate is sourced from PubChem (CID 25132626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).