[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate

C14H20O9 — CID 131700350

IUPAC[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](COC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C14H20O9/c1-7(15)19-5-11-13(21-9(3)17)14(22-10(4)18)12(23-11)6-20-8(2)16/h11-14H,5-6H2,1-4H3/t11-,12-,13?,14?/m1/s1
InChIKeyLRVQZSOYVOEEPQ-IWMBGFJWSA-N
MW332.31 g/mol
LogP-0.26
Rot. Bonds6

About [(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate

[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate (PubChem CID 131700350) has the molecular formula C14H20O9 and a molecular weight of 332.31 g/mol. Its IUPAC name is [(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
PubChem CID131700350
Molecular FormulaC14H20O9
Molecular Weight332.31 g/mol
Exact Mass332.11
IUPAC Name[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](COC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C14H20O9/c1-7(15)19-5-11-13(21-9(3)17)14(22-10(4)18)12(23-11)6-20-8(2)16/h11-14H,5-6H2,1-4H3/t11-,12-,13?,14?/m1/s1
InChIKeyLRVQZSOYVOEEPQ-IWMBGFJWSA-N
XLogP-0.26
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[(5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 118601719
2-[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid
CID 11269290
2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid
CID 22498105
[(2R,3R,4R,5S)-3,4,5-triacetyloxy(513C)oxolan-2-yl]methyl acetate
CID 11461323
[(2R,3S,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
CID 24802529
[(3S,4R,6S)-3,4-diacetyloxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 71155336
[(2S,3R,4S,5R)-3,4-diacetyloxy-5-sulfanyloxolan-2-yl]methyl acetate
CID 91464161
[(3R,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 66625316
[(3S,4R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 59256922
[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-sulfanyloxan-2-yl]methyl acetate
CID 124584757
gold(1+);(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate
CID 122364678
[(3R,4R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 121321079

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate (CID 131700350) is [(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](COC(C)=O)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of [(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate?
The InChIKey is LRVQZSOYVOEEPQ-IWMBGFJWSA-N. The full InChI is InChI=1S/C14H20O9/c1-7(15)19-5-11-13(21-9(3)17)14(22-10(4)18)12(23-11)6-20-8(2)16/h11-14H,5-6H2,1-4H3/t11-,12-,13?,14?/m1/s1.
What are the key properties of [(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate?
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate has a molecular weight of 332.31 g/mol, XLogP of -0.26, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate is sourced from PubChem (CID 131700350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).