methyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate

C11H16O8 — CID 129298889

IUPACmethyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate
SMILESCOC(=O)C1CC(OC(C)=O)[C@@H](OC(C)=O)C(O)O1
InChIInChI=1S/C11H16O8/c1-5(12)17-7-4-8(10(14)16-3)19-11(15)9(7)18-6(2)13/h7-9,11,15H,4H2,1-3H3/t7?,8?,9-,11?/m1/s1
InChIKeyVXEOAMIWJPREAO-CHNYNBFLSA-N
MW276.24 g/mol
LogP-0.87
Rot. Bonds3

About methyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate

methyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate (PubChem CID 129298889) has the molecular formula C11H16O8 and a molecular weight of 276.24 g/mol. Its IUPAC name is methyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate
PubChem CID129298889
Molecular FormulaC11H16O8
Molecular Weight276.24 g/mol
Exact Mass276.08
IUPAC Namemethyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate
SMILESCOC(=O)C1CC(OC(C)=O)[C@@H](OC(C)=O)C(O)O1
InChIInChI=1S/C11H16O8/c1-5(12)17-7-4-8(10(14)16-3)19-11(15)9(7)18-6(2)13/h7-9,11,15H,4H2,1-3H3/t7?,8?,9-,11?/m1/s1
InChIKeyVXEOAMIWJPREAO-CHNYNBFLSA-N
XLogP-0.87
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
(2S,4S,5R,6R)-4,5,6-triacetyloxyoxane-2-carboxylic acid
CID 166737306
dimethyl (2R,6S)-4-hydroxyoxane-2,6-dicarboxylate
CID 92523864
methyl (4S)-5-acetyloxy-6-hydroxy-3,4-dimethyloxane-2-carboxylate
CID 170206334
[(2S,3R,4R,6R)-6-acetyl-3-bromo-2-hydroxyoxan-4-yl] acetate
CID 10978872
methyl (2R,3S,4S,5R)-3,4,5-triacetyloxyoxane-2-carboxylate
CID 100924415
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
[(1R,2S,3R,4S,5R)-4,5-diacetyloxy-2,3-dihydroxycyclohexyl] acetate
CID 102213375
methyl (2S,5S)-3,4,5-triacetyloxyoxolane-2-carboxylate
CID 131700717
methyl (2R,4R)-4-methyloxetane-2-carboxylate
CID 77068268
[(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate
CID 156614307

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate?
The IUPAC name of methyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate (CID 129298889) is methyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate.
What is the SMILES notation for methyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate?
The canonical SMILES for methyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate is COC(=O)C1CC(OC(C)=O)[C@@H](OC(C)=O)C(O)O1.
What is the InChIKey of methyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate?
The InChIKey is VXEOAMIWJPREAO-CHNYNBFLSA-N. The full InChI is InChI=1S/C11H16O8/c1-5(12)17-7-4-8(10(14)16-3)19-11(15)9(7)18-6(2)13/h7-9,11,15H,4H2,1-3H3/t7?,8?,9-,11?/m1/s1.
What are the key properties of methyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate?
methyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate has a molecular weight of 276.24 g/mol, XLogP of -0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate is sourced from PubChem (CID 129298889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).